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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (3,474)
Phenols (317)
Naphthalenes (181)
Anthracenes (103)
Fluorenes (91)
Indanes (87)
Tetralins (78)
Triphenyl compounds (76)
Pyrenes (67)
Phenanthrenes and derivatives (51)
Dibenzocycloheptenes (44)
Phenol esters (20)
Thiophenols (14)
Naphthacenes (9)

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1 – 15 of 1,862 results
1

Ioversol, TRC

CAS: 87771-40-2 Molecular Formula: C18 H24 I3 N3 O9 Molecular Weight (g/mol): 807.11 Synonym: 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI),N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide,1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide,Ioversol,MP 328,Optiray,Optiray 320,P 530,P 530 (contrast agent) IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

CAS 87771-40-2
Molecular Weight (g/mol) 807.11
SMILES OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Synonym 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI),N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide,1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide,Ioversol,MP 328,Optiray,Optiray 320,P 530,P 530 (contrast agent)
IUPAC Name 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula C18 H24 I3 N3 O9
2

Chrysene, TRC

CAS: 218-01-9 Molecular Formula: C18 H12 Molecular Weight (g/mol): 228.29 Synonym: 1,2-Benzophenanthrene,1,2-Benzphenanthrene,Benzo[a]phenanthrene,NSC 6175,[4]Phenacene IUPAC Name: chrysene SMILES: c1ccc2c(c1)ccc3c4ccccc4ccc23

CAS 218-01-9
Molecular Weight (g/mol) 228.29
SMILES c1ccc2c(c1)ccc3c4ccccc4ccc23
Synonym 1,2-Benzophenanthrene,1,2-Benzphenanthrene,Benzo[a]phenanthrene,NSC 6175,[4]Phenacene
IUPAC Name chrysene
Molecular Formula C18 H12
3

Phenaglycodol, TRC

CAS: 79-93-6 Molecular Formula: C11H15ClO2 Molecular Weight (g/mol): 214.69 Synonym: 2-(4-Chlorophenyl)-3-methyl-2,3-butanediol,2-p-Chlorophenyl-3-methyl-2,3-butanediol,Acalmid,Acalo,Alterton,Felixyn,NSC 169451,NSC 63894,Sinforil,Stesil,Ultran IUPAC Name: 2-(4-chlorophenyl)-3-methylbutane-2,3-diol SMILES: CC(C)(O)C(C)(O)c1ccc(Cl)cc1

CAS 79-93-6
Molecular Weight (g/mol) 214.69
SMILES CC(C)(O)C(C)(O)c1ccc(Cl)cc1
Synonym 2-(4-Chlorophenyl)-3-methyl-2,3-butanediol,2-p-Chlorophenyl-3-methyl-2,3-butanediol,Acalmid,Acalo,Alterton,Felixyn,NSC 169451,NSC 63894,Sinforil,Stesil,Ultran
IUPAC Name 2-(4-chlorophenyl)-3-methylbutane-2,3-diol
Molecular Formula C11H15ClO2
4

Sulfisoxazole, TRC

CAS: 127-69-5 Molecular Formula: C11 H13 N3 O3 S Molecular Weight (g/mol): 267.3 Synonym: 3,4-Dimethyl-5-sulfanilamidoisoxazole,3,4-Dimethyl-5-sulfonamidoisoxazole,4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide,5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole,5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole,5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole,5-Sulfanilamido-3,4-dimethylisoxazole,Alphazole,Amidoxal,Chemouag,Dorsulfan Warthausen,Entusul,Gantrisin,Gantrisona,Gantrizin,Gantrosan,Isoxamin,N-(3,4-Dimethylisoxazol-5-yl)-4-aminobenzenesulfonamide,N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide,NSC 13120,NSC 33807,NSC 38588,NSC 683536,Neazolin,Neoxazol,Norilgan-S,Pancid,Roxosul tablets,Sosol,Soxisol,Soxomide,Stansin,Sulbio,Sulfadimethylisoxazole,Sulfafurazol,Sulfafurazole,Sulfagan,Sulfaisoxazole,Sulfalar,Sulfasol,Sulfazin,Sulfisoxazol,Sulfisoxazole,Sulfisoxazole dialamine,Sulfoxol,Sulphafurazole,Sulphisoxazole,Sulsoxin,Thiasin,Unisulf,Uritrisin IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C

CAS 127-69-5
Molecular Weight (g/mol) 267.3
SMILES Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
Synonym 3,4-Dimethyl-5-sulfanilamidoisoxazole,3,4-Dimethyl-5-sulfonamidoisoxazole,4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide,5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole,5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole,5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole,5-Sulfanilamido-3,4-dimethylisoxazole,Alphazole,Amidoxal,Chemouag,Dorsulfan Warthausen,Entusul,Gantrisin,Gantrisona,Gantrizin,Gantrosan,Isoxamin,N-(3,4-Dimethylisoxazol-5-yl)-4-aminobenzenesulfonamide,N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide,NSC 13120,NSC 33807,NSC 38588,NSC 683536,Neazolin,Neoxazol,Norilgan-S,Pancid,Roxosul tablets,Sosol,Soxisol,Soxomide,Stansin,Sulbio,Sulfadimethylisoxazole,Sulfafurazol,Sulfafurazole,Sulfagan,Sulfaisoxazole,Sulfalar,Sulfasol,Sulfazin,Sulfisoxazol,Sulfisoxazole,Sulfisoxazole dialamine,Sulfoxol,Sulphafurazole,Sulphisoxazole,Sulsoxin,Thiasin,Unisulf,Uritrisin
IUPAC Name 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Molecular Formula C11 H13 N3 O3 S
5

Sulfameter, TRC

CAS: 651-06-9 Molecular Formula: C11 H12 N4 O3 S Molecular Weight (g/mol): 280.3 Synonym: Sulfameter,Sulfameter IUPAC Name: 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide SMILES: COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1

CAS 651-06-9
Molecular Weight (g/mol) 280.3
SMILES COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
Synonym Sulfameter,Sulfameter
IUPAC Name 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
Molecular Formula C11 H12 N4 O3 S
6

Pyrasulfotole, TRC

CAS: 365400-11-9 Molecular Formula: C14 H13 F3 N2 O4 S Molecular Weight (g/mol): 362.32 Synonym: (5-Hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone,Pyrasulfotole IUPAC Name: (5-hydroxy-1,3-dimethylpyrazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone SMILES: Cc1nn(C)c(O)c1C(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F

CAS 365400-11-9
Molecular Weight (g/mol) 362.32
SMILES Cc1nn(C)c(O)c1C(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F
Synonym (5-Hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone,Pyrasulfotole
IUPAC Name (5-hydroxy-1,3-dimethylpyrazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
Molecular Formula C14 H13 F3 N2 O4 S
7

Metoxuron, TRC

CAS: 19937-59-8 Molecular Formula: C10 H13 Cl N2 O2 Molecular Weight (g/mol): 228.68 Synonym: Urea, 3-(3-chloro-4-methoxyphenyl)-1,1-dimethyl- (6CI,8CI),N'-(3-Chloro-4-methoxyphenyl)-N,N-dimethylurea,1-(3-Chloro-4-methoxyphenyl)-3,3-dimethylurea,3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea,Dosanex,Metoxuran,Metoxuron,N-(3-Chloro-4-methoxyphenyl)-N',N'-dimethylurea,Purivel,SAN 6602,SAN 7102,Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl- IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea SMILES: COc1ccc(NC(=O)N(C)C)cc1Cl

CAS 19937-59-8
Molecular Weight (g/mol) 228.68
SMILES COc1ccc(NC(=O)N(C)C)cc1Cl
Synonym Urea, 3-(3-chloro-4-methoxyphenyl)-1,1-dimethyl- (6CI,8CI),N'-(3-Chloro-4-methoxyphenyl)-N,N-dimethylurea,1-(3-Chloro-4-methoxyphenyl)-3,3-dimethylurea,3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea,Dosanex,Metoxuran,Metoxuron,N-(3-Chloro-4-methoxyphenyl)-N',N'-dimethylurea,Purivel,SAN 6602,SAN 7102,Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl-
IUPAC Name 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
Molecular Formula C10 H13 Cl N2 O2
8

Prenalterol, TRC

CAS: 57526-81-5 Molecular Formula: C12 H19 N O3 Molecular Weight (g/mol): 225.28 Synonym: Phenol, 4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-,Phenol, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (S)-,(-)-Prenalterol,(S)-Prenalterol,CGP 7760B,H 133/22,Hyprenan,Prenalterol,S-Varbian IUPAC Name: 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol SMILES: CC(C)NC[C@H](O)COc1ccc(O)cc1

CAS 57526-81-5
Molecular Weight (g/mol) 225.28
SMILES CC(C)NC[C@H](O)COc1ccc(O)cc1
Synonym Phenol, 4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-,Phenol, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (S)-,(-)-Prenalterol,(S)-Prenalterol,CGP 7760B,H 133/22,Hyprenan,Prenalterol,S-Varbian
IUPAC Name 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
Molecular Formula C12 H19 N O3
9

Carboxyamidotriazole, TRC

CAS: 99519-84-3 Molecular Formula: C17 H12 Cl3 N5 O2 Molecular Weight (g/mol): 424.67 Synonym: 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-,5-Amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-1H-1,2,3-triazole-4-carboxamide,CAI,Carboxyamidotriazole,L 651582,NSC 609974 IUPAC Name: 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide SMILES: NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N

CAS 99519-84-3
Molecular Weight (g/mol) 424.67
SMILES NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N
Synonym 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-,5-Amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-1H-1,2,3-triazole-4-carboxamide,CAI,Carboxyamidotriazole,L 651582,NSC 609974
IUPAC Name 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
Molecular Formula C17 H12 Cl3 N5 O2
10

Dichlorotriphenylphosphorane, TRC

CAS: 2526-64-9 Molecular Formula: C18H15Cl2P Molecular Weight (g/mol): 333.19 Synonym: Triphenylphosphine Dichloride SMILES: ClP(Cl)(c1ccccc1)(c2ccccc2)c3ccccc3

CAS 2526-64-9
Molecular Weight (g/mol) 333.19
SMILES ClP(Cl)(c1ccccc1)(c2ccccc2)c3ccccc3
Synonym Triphenylphosphine Dichloride
Molecular Formula C18H15Cl2P
11

Diisohomoeugenol, TRC

CAS: 4483-47-0 Molecular Formula: C22H28O4 Molecular Weight (g/mol): 356.46 Synonym: Dimethyl Ether of Diisoeugenol,NSC 10200,1-(3,4-Dimethoxyphenyl)-3-ethyl-2,3-dihydro-5,6-dimethoxy-2-methyl-1H-indene,3-Ethyl-5,6-dimethoxy-1- (3,4-dimethoxyphenyl-2 methyl) -indane SMILES: CCC1C(C)C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13

CAS 4483-47-0
Molecular Weight (g/mol) 356.46
SMILES CCC1C(C)C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13
Synonym Dimethyl Ether of Diisoeugenol,NSC 10200,1-(3,4-Dimethoxyphenyl)-3-ethyl-2,3-dihydro-5,6-dimethoxy-2-methyl-1H-indene,3-Ethyl-5,6-dimethoxy-1- (3,4-dimethoxyphenyl-2 methyl) -indane
Molecular Formula C22H28O4
12

(-)-Normacromerine, TRC

CAS: 41787-64-8 Molecular Formula: C11H17NO3 Molecular Weight (g/mol): 211.26 Synonym: (alphaR)-3,4-Dimethoxy-alpha-[(methylamino)methyl]benzenemethanol,Normacromerine,(R)-3,4-Dimethoxy-alpha-[(methylamino)methyl]benzenemethanol IUPAC Name: (1R)-1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol SMILES: CNC[C@H](O)c1ccc(OC)c(OC)c1

CAS 41787-64-8
Molecular Weight (g/mol) 211.26
SMILES CNC[C@H](O)c1ccc(OC)c(OC)c1
Synonym (alphaR)-3,4-Dimethoxy-alpha-[(methylamino)methyl]benzenemethanol,Normacromerine,(R)-3,4-Dimethoxy-alpha-[(methylamino)methyl]benzenemethanol
IUPAC Name (1R)-1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol
Molecular Formula C11H17NO3
13

OctaInd, TRC

CAS: 1084889-51-9 Molecular Formula: C18 H12 Br8 Molecular Weight (g/mol): 867.5199 Synonym: OctaInd,1H-Indene, 4,5,6,7-tetrabromo-2,3-dihydro-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)- IUPAC Name: 4,5,6,7-tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-2H-indene SMILES: CC1(C)CC(C)(c2cc(Br)c(Br)c(Br)c2Br)c3c(Br)c(Br)c(Br)c(Br)c13

CAS 1084889-51-9
Molecular Weight (g/mol) 867.5199
SMILES CC1(C)CC(C)(c2cc(Br)c(Br)c(Br)c2Br)c3c(Br)c(Br)c(Br)c(Br)c13
Synonym OctaInd,1H-Indene, 4,5,6,7-tetrabromo-2,3-dihydro-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-
IUPAC Name 4,5,6,7-tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-2H-indene
Molecular Formula C18 H12 Br8
14

Fenclofenac, TRC

CAS: 34645-84-6 Molecular Formula: C14 H10 Cl2 O3 Molecular Weight (g/mol): 297.13 Synonym: Benzeneacetic acid, 2-(2,4-dichlorophenoxy)-,Fenclofenac,Flenac,R 67408,RX 67408,[o-(2,4-Dichlorophenoxy)phenyl]acetic acid IUPAC Name: 2-[2-(2,4-dichlorophenoxy)phenyl]acetic acid SMILES: OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl

CAS 34645-84-6
Molecular Weight (g/mol) 297.13
SMILES OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl
Synonym Benzeneacetic acid, 2-(2,4-dichlorophenoxy)-,Fenclofenac,Flenac,R 67408,RX 67408,[o-(2,4-Dichlorophenoxy)phenyl]acetic acid
IUPAC Name 2-[2-(2,4-dichlorophenoxy)phenyl]acetic acid
Molecular Formula C14 H10 Cl2 O3
15

Fluoronitrofen, TRC

CAS: 13738-63-1 Molecular Formula: C12H6Cl2FNO3 Molecular Weight (g/mol): 302.09 Synonym: Ether, 2,4-dichloro-6-fluorophenyl p-nitrophenyl (8CI),1,5-Dichloro-3-fluoro-2-(4-nitrophenoxy)benzene,2,4-Dichloro-6-fluoro-4'-nitrodiphenyl ether,2,4-Dichloro-6-fluorophenyl 4-nitrophenyl ether,2,4-Dichloro-6-fluorophenyl-p-nitrophenyl ether,2-Fluoro-4,6-dichloro-4'-nitrodiphenyl ether,2-Fluoro-4,6-dichlorophenyl 4-nitrophenyl ether,4-Nitro-2',4'-dichloro-6'-fluorodiphenyl ether,CFNP,Fluoronitrofen IUPAC Name: 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene SMILES: [O-][N+](=O)c1ccc(Oc2c(F)cc(Cl)cc2Cl)cc1

CAS 13738-63-1
Molecular Weight (g/mol) 302.09
SMILES [O-][N+](=O)c1ccc(Oc2c(F)cc(Cl)cc2Cl)cc1
Synonym Ether, 2,4-dichloro-6-fluorophenyl p-nitrophenyl (8CI),1,5-Dichloro-3-fluoro-2-(4-nitrophenoxy)benzene,2,4-Dichloro-6-fluoro-4'-nitrodiphenyl ether,2,4-Dichloro-6-fluorophenyl 4-nitrophenyl ether,2,4-Dichloro-6-fluorophenyl-p-nitrophenyl ether,2-Fluoro-4,6-dichloro-4'-nitrodiphenyl ether,2-Fluoro-4,6-dichlorophenyl 4-nitrophenyl ether,4-Nitro-2',4'-dichloro-6'-fluorodiphenyl ether,CFNP,Fluoronitrofen
IUPAC Name 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene
Molecular Formula C12H6Cl2FNO3