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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.
Anthracenes (16)
Fluorenes (63)
Indanes (5)
Naphthacenes (3)
Naphthalenes (53)
Pentacenequinones (2)
Phenanthrenes and derivatives (11)
Phenol esters (1)
Pyrenes (8)
Tetralins (6)
Triphenyl compounds (20)
Benzene and substituted derivatives (818)
Phenols (127)

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2

rac Cetirizine N-Oxide >90% by HPLC(Mixture of Diastereomers), TRC

CAS: 1076199-80-8 Molecular Formula: C21 H25 Cl N2 O4 Molecular Weight (g/mol): 404.89 Synonym: Cetirizine N-Oxide,2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid,Cetirizine-N-oxide IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid SMILES: OC(=O)COCC[N+]1([O-])CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

CAS 1076199-80-8
Molecular Weight (g/mol) 404.89
SMILES OC(=O)COCC[N+]1([O-])CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
Synonym Cetirizine N-Oxide,2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid,Cetirizine-N-oxide
IUPAC Name 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid
Molecular Formula C21 H25 Cl N2 O4
3

Hippuric acid, 98%

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 SMILES: OC(=O)CNC(=O)C1=CC=CC=C1

EDGE
PubChem CID 464
CAS 495-69-2
Molecular Weight (g/mol) 179.18
ChEBI CHEBI:18089
MDL Number MFCD00002692
SMILES OC(=O)CNC(=O)C1=CC=CC=C1
Synonym hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
4

Gliclazide

CAS: 21187-98-4 Molecular Formula: C15H21N3O3S Molecular Weight (g/mol): 323.41 MDL Number: MFCD00409893 InChI Key: BOVGTQGAOIONJV-UHFFFAOYNA-N Synonym: gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish PubChem CID: 3475 ChEBI: CHEBI:31654 IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1

PubChem CID 3475
CAS 21187-98-4
Molecular Weight (g/mol) 323.41
ChEBI CHEBI:31654
MDL Number MFCD00409893
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
Synonym gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish
IUPAC Name 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea
InChI Key BOVGTQGAOIONJV-UHFFFAOYNA-N
Molecular Formula C15H21N3O3S
5

Thermo Scientific Chemicals Clotrimazole

CAS: 23593-75-1 Molecular Formula: C22H17ClN2 Molecular Weight (g/mol): 344.84 InChI Key: VNFPBHJOKIVQEB-UHFFFAOYSA-N Synonym: clotrimazole,lotrimin,canesten,mycelex,mycosporin,empecid,clotrimazol,mykosporin,gyne lotrimin,chlotrimazole PubChem CID: 2812 ChEBI: CHEBI:3764 IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazole SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4

PubChem CID 2812
CAS 23593-75-1
Molecular Weight (g/mol) 344.84
ChEBI CHEBI:3764
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
Synonym clotrimazole,lotrimin,canesten,mycelex,mycosporin,empecid,clotrimazol,mykosporin,gyne lotrimin,chlotrimazole
IUPAC Name 1-[(2-chlorophenyl)-diphenylmethyl]imidazole
InChI Key VNFPBHJOKIVQEB-UHFFFAOYSA-N
Molecular Formula C22H17ClN2
6

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
7

Fullerene C60, 99.9%

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

EDGE
PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
8

5-Hydroxy-p-naphthoquinone, 97%

CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxynaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O

EDGE
PubChem CID 3806
CAS 481-39-0
Molecular Weight (g/mol) 174.16
ChEBI CHEBI:15794
MDL Number MFCD00001684
SMILES OC1=CC=CC2=C1C(=O)C=CC2=O
Synonym juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon
IUPAC Name 5-hydroxynaphthalene-1,4-dione
InChI Key KQPYUDDGWXQXHS-UHFFFAOYSA-N
Molecular Formula C10H6O3
9

4-Acetamidophenol, 98%

CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1

EDGE
PubChem CID 1983
CAS 103-90-2
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:46195
MDL Number MFCD00002328
SMILES CC(=O)NC1=CC=C(O)C=C1
Synonym acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol
IUPAC Name N-(4-hydroxyphenyl)acetamide
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula C8H9NO2
10

Triphenylphosphine oxide, 99%

CAS: 791-28-6 Molecular Formula: C18H15OP Molecular Weight (g/mol): 278.29 MDL Number: MFCD00002080 MFCD03458802 InChI Key: FIQMHBFVRAXMOP-UHFFFAOYSA-N Synonym: triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid PubChem CID: 13097 ChEBI: CHEBI:36601 IUPAC Name: diphenylphosphorylbenzene SMILES: O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 13097
CAS 791-28-6
Molecular Weight (g/mol) 278.29
ChEBI CHEBI:36601
MDL Number MFCD00002080 MFCD03458802
SMILES O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid
IUPAC Name diphenylphosphorylbenzene
InChI Key FIQMHBFVRAXMOP-UHFFFAOYSA-N
Molecular Formula C18H15OP
11

4-Hydroxybenzoic Acid, 99+%

CAS: 99-96-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002547 InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N Synonym: p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german PubChem CID: 135 ChEBI: CHEBI:30763 IUPAC Name: 4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1

EDGE
PubChem CID 135
CAS 99-96-7
Molecular Weight (g/mol) 138.12
ChEBI CHEBI:30763
MDL Number MFCD00002547
SMILES OC(=O)C1=CC=C(O)C=C1
Synonym p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german
IUPAC Name 4-hydroxybenzoic acid
InChI Key FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula C7H6O3
12

Benzoic anhydride, 98%

CAS: 93-97-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2

EDGE
PubChem CID 7167
CAS 93-97-0
Molecular Weight (g/mol) 226.23
ChEBI CHEBI:38815
MDL Number MFCD00003073
SMILES C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2
Synonym benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate
IUPAC Name benzoyl benzoate
InChI Key CHIHQLCVLOXUJW-UHFFFAOYSA-N
Molecular Formula C14H10O3
13

1,6-Diphenyl-1,3,5-hexatriene, 95%

CAS: 1720-32-7 Molecular Formula: C18H16 Molecular Weight (g/mol): 232.32 MDL Number: MFCD00004793 InChI Key: BOBLSBAZCVBABY-WPWUJOAOSA-N Synonym: 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene PubChem CID: 5376733 ChEBI: CHEBI:51594 IUPAC Name: [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene SMILES: C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2

EDGE
PubChem CID 5376733
CAS 1720-32-7
Molecular Weight (g/mol) 232.32
ChEBI CHEBI:51594
MDL Number MFCD00004793
SMILES C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2
Synonym 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene
IUPAC Name [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
InChI Key BOBLSBAZCVBABY-WPWUJOAOSA-N
Molecular Formula C18H16
14

O-Acetylsalicylic acid, 99%

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

EDGE
PubChem CID 2244
CAS 50-78-2
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:15365
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
Synonym aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin
IUPAC Name 2-acetyloxybenzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
15

Olivetol-d9, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Percent Purity >95% (HPLC)
CAS 137125-92-9
Molecular Weight (g/mol) 189.3
Chemical Name or Material Olivetol-d9
SMILES OC1=CC(O)=CC(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=C1
Synonym 3,5-Dihydroxyamylbenzene-d9,5-n-Amylresorcinol-d9,5-n-Pentylresorcinol-d9,1,3-Dihydroxy-5-pentylbenzene-d9,5-Pentyl-1,3-benzenediol-d9;
Recommended Storage +4°C
Molecular Formula C11H7D9O2
Formula Weight 189.1715 g/mol