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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (8,512)
Aminobenzoic acids and derivatives (6,678)
Phenylpropenes (4,897)
Fluorobenzenes (3,880)
Benzyl Derivatives (3,424)
Phenoxy compounds (2,446)
Trifluoromethylbenzenes (2,211)
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Benzoyl derivatives (1,923)
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76 – 90 of 43,567 results
76

Diphenyl chlorophosphate, 98%

CAS: 2524-64-3 Molecular Formula: C12H10ClO3P Molecular Weight (g/mol): 268.63 MDL Number: MFCD00003030 InChI Key: BHIIGRBMZRSDRI-UHFFFAOYSA-N Synonym: diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride PubChem CID: 75654 IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl

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PubChem CID 75654
CAS 2524-64-3
Molecular Weight (g/mol) 268.63
MDL Number MFCD00003030
SMILES C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl
Synonym diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride
IUPAC Name [chloro(phenoxy)phosphoryl]oxybenzene
InChI Key BHIIGRBMZRSDRI-UHFFFAOYSA-N
Molecular Formula C12H10ClO3P
77

4-Bromobenzophenone, 97%

CAS: 90-90-4 Molecular Formula: C13H9BrO Molecular Weight (g/mol): 261.12 MDL Number: MFCD00000103 InChI Key: KEOLYBMGRQYQTN-UHFFFAOYSA-N Synonym: 4-bromobenzophenone,4-bromophenyl phenyl methanone,p-bromobenzophenone,methanone, 4-bromophenyl phenyl,benzophenone, 4-bromo,p-benzoylbromobenzene,usaf do-3,4-bromophenyl phenyl ketone,4-bromophenyl-phenyl-methanone,4-bromophenyl-phenylmethanone PubChem CID: 7030 IUPAC Name: (4-bromophenyl)-phenylmethanone SMILES: BrC1=CC=C(C=C1)C(=O)C1=CC=CC=C1

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PubChem CID 7030
CAS 90-90-4
Molecular Weight (g/mol) 261.12
MDL Number MFCD00000103
SMILES BrC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
Synonym 4-bromobenzophenone,4-bromophenyl phenyl methanone,p-bromobenzophenone,methanone, 4-bromophenyl phenyl,benzophenone, 4-bromo,p-benzoylbromobenzene,usaf do-3,4-bromophenyl phenyl ketone,4-bromophenyl-phenyl-methanone,4-bromophenyl-phenylmethanone
IUPAC Name (4-bromophenyl)-phenylmethanone
InChI Key KEOLYBMGRQYQTN-UHFFFAOYSA-N
Molecular Formula C13H9BrO
78

(Carbethoxymethyl)triphenylphosphonium bromide, 98%

CAS: 1530-45-6 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00011835 InChI Key: VJVZPTPOYCJFNI-UHFFFAOYSA-M Synonym: carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide PubChem CID: 73731 IUPAC Name: (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide SMILES: [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 73731
CAS 1530-45-6
Molecular Weight (g/mol) 429.29
MDL Number MFCD00011835
SMILES [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide
IUPAC Name (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide
InChI Key VJVZPTPOYCJFNI-UHFFFAOYSA-M
Molecular Formula C22H22BrO2P
79

2,6-Dihydroxybenzoic acid, 97%

CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O

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PubChem CID 9338
CAS 303-07-1
Molecular Weight (g/mol) 154.12
ChEBI CHEBI:68465
MDL Number MFCD00002462
SMILES OC(=O)C1=C(O)C=CC=C1O
Synonym gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid
IUPAC Name 2,6-dihydroxybenzoic acid
InChI Key AKEUNCKRJATALU-UHFFFAOYSA-N
Molecular Formula C7H6O4
80

Thermo Scientific Chemicals 1,2:3,4-Di-O-isopropylidene-D-galactopyranose, 97%

CAS: 4064-06-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.28 MDL Number: MFCD00063225 InChI Key: POORJMIIHXHXAV-UHFFFAOYNA-N

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CAS 4064-06-6
Molecular Weight (g/mol) 260.28
MDL Number MFCD00063225
InChI Key POORJMIIHXHXAV-UHFFFAOYNA-N
Molecular Formula C12H20O6
81

2-Fluorobenzoic acid, 99%

CAS: 445-29-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F

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PubChem CID 9935
CAS 445-29-4
Molecular Weight (g/mol) 140.11
ChEBI CHEBI:19577
MDL Number MFCD00002405
SMILES C1=CC=C(C(=C1)C(=O)O)F
Synonym o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid
IUPAC Name 2-fluorobenzoic acid
InChI Key NSTREUWFTAOOKS-UHFFFAOYSA-N
Molecular Formula C7H5FO2
82

4-Fluorophenylhydrazine hydrochloride, 97%

CAS: 823-85-8 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.59 MDL Number: MFCD00012942 InChI Key: FEKUXLUOKFSMRO-UHFFFAOYSA-N Synonym: 4-fluorophenylhydrazine hydrochloride,4-fluorophenyl hydrazine hydrochloride,4-fluorophenylhydrazine hcl,1-4-fluorophenyl hydrazine hydrochloride,4-fluorophenyl hydrazine hcl,p-fluorophenylhydrazine hydrochloride,4-fluorphenyl hydrazine hydrochloride,4-fluorophenyl hydrazine monohydrochloride,p-fluorophenylhydrazine hcl,hydrazine, 4-fluorophenyl-, monohydrochloride PubChem CID: 69981 SMILES: [H+].[Cl-].NNC1=CC=C(F)C=C1

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PubChem CID 69981
CAS 823-85-8
Molecular Weight (g/mol) 162.59
MDL Number MFCD00012942
SMILES [H+].[Cl-].NNC1=CC=C(F)C=C1
Synonym 4-fluorophenylhydrazine hydrochloride,4-fluorophenyl hydrazine hydrochloride,4-fluorophenylhydrazine hcl,1-4-fluorophenyl hydrazine hydrochloride,4-fluorophenyl hydrazine hcl,p-fluorophenylhydrazine hydrochloride,4-fluorphenyl hydrazine hydrochloride,4-fluorophenyl hydrazine monohydrochloride,p-fluorophenylhydrazine hcl,hydrazine, 4-fluorophenyl-, monohydrochloride
InChI Key FEKUXLUOKFSMRO-UHFFFAOYSA-N
Molecular Formula C6H8ClFN2
83

3-Benzyloxybromobenzene, 96%

CAS: 53087-13-1 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.13 InChI Key: HVWZMGZBJCJDOX-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065 PubChem CID: 2756638 IUPAC Name: 1-bromo-3-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)Br

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PubChem CID 2756638
CAS 53087-13-1
Molecular Weight (g/mol) 263.13
SMILES C1=CC=C(C=C1)COC2=CC(=CC=C2)Br
Synonym 1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065
IUPAC Name 1-bromo-3-phenylmethoxybenzene
InChI Key HVWZMGZBJCJDOX-UHFFFAOYSA-N
Molecular Formula C13H11BrO
84

4-Bromophenethyl bromide, 96%

CAS: 1746-28-7 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 InChI Key: APTDRDYSJZQPPI-UHFFFAOYSA-N Synonym: 1-bromo-4-2-bromoethyl benzene,4-bromophenethyl bromide,4-bromophenethylbromide,benzene,1-bromo-4-2-bromoethyl,4-bromo-1-2-bromoethyl benzene,pubchem16698,4-bromobenzylmethyl bromide,acmc-209e8m,1-bromo-4-2-bromoethyl ;benzene PubChem CID: 11010825 IUPAC Name: 1-bromo-4-(2-bromoethyl)benzene SMILES: C1=CC(=CC=C1CCBr)Br

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PubChem CID 11010825
CAS 1746-28-7
Molecular Weight (g/mol) 263.96
SMILES C1=CC(=CC=C1CCBr)Br
Synonym 1-bromo-4-2-bromoethyl benzene,4-bromophenethyl bromide,4-bromophenethylbromide,benzene,1-bromo-4-2-bromoethyl,4-bromo-1-2-bromoethyl benzene,pubchem16698,4-bromobenzylmethyl bromide,acmc-209e8m,1-bromo-4-2-bromoethyl ;benzene
IUPAC Name 1-bromo-4-(2-bromoethyl)benzene
InChI Key APTDRDYSJZQPPI-UHFFFAOYSA-N
Molecular Formula C8H8Br2
85

4,5-Dimethoxy-2-nitrobenzyl bromide, 97%

CAS: 53413-67-5 Molecular Formula: C9H10BrNO4 Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC

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PubChem CID 3016812
CAS 53413-67-5
Molecular Weight (g/mol) 276.09
SMILES COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Synonym 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene
IUPAC Name 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI Key UEKFEYNZISYRRH-UHFFFAOYSA-N
Molecular Formula C9H10BrNO4
86

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.13 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

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PubChem CID 219633
CAS 606-18-8
Molecular Weight (g/mol) 182.13
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
87

3-Methylsulphonylaniline hydrochloride, 95%

CAS: 80213-28-1 Molecular Formula: C7H10ClNO2S Molecular Weight (g/mol): 207.67 MDL Number: MFCD00216487 InChI Key: ZMPXGSYLKFAGOV-UHFFFAOYSA-N Synonym: 3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride PubChem CID: 2735179 IUPAC Name: 3-methylsulfonylaniline;hydrochloride SMILES: [H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1

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PubChem CID 2735179
CAS 80213-28-1
Molecular Weight (g/mol) 207.67
MDL Number MFCD00216487
SMILES [H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1
Synonym 3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride
IUPAC Name 3-methylsulfonylaniline;hydrochloride
InChI Key ZMPXGSYLKFAGOV-UHFFFAOYSA-N
Molecular Formula C7H10ClNO2S
88

Methyl 2-aminopyridine-4-carboxylate, 98%

CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N IUPAC Name: methyl 2-aminopyridine-4-carboxylate

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CAS 6937-03-7
Molecular Weight (g/mol) 152.15
MDL Number MFCD04039316
IUPAC Name methyl 2-aminopyridine-4-carboxylate
InChI Key SVWWNEYBEFASMP-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
89

2-Methoxybenzonitrile, 99%

CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

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PubChem CID 81086
CAS 6609-56-9
Molecular Weight (g/mol) 133.15
MDL Number MFCD00001783
SMILES COC1=CC=CC=C1C#N
Synonym 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name 2-methoxybenzonitrile
InChI Key FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula C8H7NO
90

Ethyl trans-beta-methylcinnamate, 97%

CAS: 1504-72-9 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00053762 InChI Key: BSXHSWOMMFBMLL-MDZDMXLPSA-N Synonym: e-ethyl 3-phenylbut-2-enoate,cinnamic acid, .beta.-methyl-, ethyl ester,ethyl 3-phenylcrotonate,ethyl 3-phenylcrotonate,ethyl trans-beta-methylcinnamate,ethyl trans-beta-methylcinnamate,ethyl e-3-phenyl-2-butenoate,ethyl e-3-phenyl-2-butenoate,a-methylcinnamate,a-methylcinnamate,2-butenoic acid, 3-phenyl-, ethyl ester PubChem CID: 5354836 IUPAC Name: ethyl (E)-3-phenylbut-2-enoate SMILES: CCOC(=O)C=C(C)C1=CC=CC=C1

EDGE
PubChem CID 5354836
CAS 1504-72-9
Molecular Weight (g/mol) 190.24
MDL Number MFCD00053762
SMILES CCOC(=O)C=C(C)C1=CC=CC=C1
Synonym e-ethyl 3-phenylbut-2-enoate,cinnamic acid, .beta.-methyl-, ethyl ester,ethyl 3-phenylcrotonate,ethyl 3-phenylcrotonate,ethyl trans-beta-methylcinnamate,ethyl trans-beta-methylcinnamate,ethyl e-3-phenyl-2-butenoate,ethyl e-3-phenyl-2-butenoate,a-methylcinnamate,a-methylcinnamate,2-butenoic acid, 3-phenyl-, ethyl ester
IUPAC Name ethyl (E)-3-phenylbut-2-enoate
InChI Key BSXHSWOMMFBMLL-MDZDMXLPSA-N
Molecular Formula C12H14O2