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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 (128,832)
Phenols (24,835)
Naphthalenes (6,306)
Phenol esters (4,727)
Unsubstituted Phenols (1,439)
Fluorenes (1,277)
Thiophenols (748)
Anthracenes (511)
Indanes (479)
Phenanthrenes and derivatives (359)
Tetralins (341)
Triphenyl compounds (279)
Pyrenes (269)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (22)
Acenaphthylenes (17)
Pentacenequinones (17)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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241 – 255 of 157,338 results
241
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Diethyl phthalate, 99%

CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

PubChem CID 6781
CAS 84-66-2
Molecular Weight (g/mol) 222.24
ChEBI CHEBI:34698
MDL Number MFCD00009111
SMILES CCOC(=O)C1=CC=CC=C1C(=O)OCC
Synonym diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e
IUPAC Name diethyl benzene-1,2-dicarboxylate
InChI Key FLKPEMZONWLCSK-UHFFFAOYSA-N
Molecular Formula C12H14O4
242
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4-n-Propylphenylacetylene, 97%

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

PubChem CID 2775133
CAS 62452-73-7
Molecular Weight (g/mol) 144.217
MDL Number MFCD00173886
SMILES CCCC1=CC=C(C=C1)C#C
Synonym 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name 1-ethynyl-4-propylbenzene
InChI Key UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula C11H12
243

4-tert-Butylphenylacetylene, 90+%

CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C

PubChem CID 2757302
CAS 772-38-3
Molecular Weight (g/mol) 158.244
MDL Number MFCD00190197
SMILES CC(C)(C)C1=CC=C(C=C1)C#C
Synonym 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene
IUPAC Name 1-tert-butyl-4-ethynylbenzene
InChI Key ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Molecular Formula C12H14
244
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2'-Acetonaphthone, 99%

CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1

PubChem CID 7122
CAS 93-08-3
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:52364
MDL Number MFCD00004108
SMILES CC(=O)C1=CC2=CC=CC=C2C=C1
Synonym 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone
IUPAC Name 1-naphthalen-2-ylethanone
InChI Key XSAYZAUNJMRRIR-UHFFFAOYSA-N
Molecular Formula C12H10O
245
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N-Isopropylbenzylamine, 97%

CAS: 102-97-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008863 InChI Key: LYBKPDDZTNUNNM-UHFFFAOYSA-N Synonym: n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine PubChem CID: 66024 IUPAC Name: N-benzylpropan-2-amine SMILES: CC(C)NCC1=CC=CC=C1

PubChem CID 66024
CAS 102-97-6
Molecular Weight (g/mol) 149.237
MDL Number MFCD00008863
SMILES CC(C)NCC1=CC=CC=C1
Synonym n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine
IUPAC Name N-benzylpropan-2-amine
InChI Key LYBKPDDZTNUNNM-UHFFFAOYSA-N
Molecular Formula C10H15N
246
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2,6-Dimethylbenzaldehyde, 97%

CAS: 1123-56-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00128003 InChI Key: QOJQBWSZHCKOLL-UHFFFAOYSA-N Synonym: m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde PubChem CID: 583841 IUPAC Name: 2,6-dimethylbenzaldehyde SMILES: CC1=C(C(=CC=C1)C)C=O

PubChem CID 583841
CAS 1123-56-4
Molecular Weight (g/mol) 134.18
MDL Number MFCD00128003
SMILES CC1=C(C(=CC=C1)C)C=O
Synonym m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde
IUPAC Name 2,6-dimethylbenzaldehyde
InChI Key QOJQBWSZHCKOLL-UHFFFAOYSA-N
Molecular Formula C9H10O
247
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2,4-Dichloro-5-sulfamoylbenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 2736-23-4 Molecular Formula: C7H5Cl2NO4S Molecular Weight (g/mol): 270.08 MDL Number: MFCD00007931 InChI Key: ZSHHRBYVHTVRFK-UHFFFAOYSA-N Synonym: lasamide,5-aminosulfonyl-2,4-dichlorobenzoic acid,2,4-dichloro-5-sulphamoylbenzoic acid,2,4-dichloro-5-sulfamoyl-benzoic acid,unii-leg53tf0sn,2,4-dichloro-5-sulfamylbenzoic acid,benzoic acid, 5-aminosulfonyl-2,4-dichloro,leg53tf0sn,3-sulfamoyl-4,6-dichlorobenzoic acid,benzoic acid, 2,4-dichloro-5-sulfamoyl PubChem CID: 17655 IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O

PubChem CID 17655
CAS 2736-23-4
Molecular Weight (g/mol) 270.08
MDL Number MFCD00007931
SMILES C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
Synonym lasamide,5-aminosulfonyl-2,4-dichlorobenzoic acid,2,4-dichloro-5-sulphamoylbenzoic acid,2,4-dichloro-5-sulfamoyl-benzoic acid,unii-leg53tf0sn,2,4-dichloro-5-sulfamylbenzoic acid,benzoic acid, 5-aminosulfonyl-2,4-dichloro,leg53tf0sn,3-sulfamoyl-4,6-dichlorobenzoic acid,benzoic acid, 2,4-dichloro-5-sulfamoyl
IUPAC Name 2,4-dichloro-5-sulfamoylbenzoic acid
InChI Key ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO4S
248
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alpha,alpha'-Dichloro-p-xylene, 98%

CAS: 623-25-6 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl

PubChem CID 12171
CAS 623-25-6
MDL Number MFCD00000920
SMILES C1=CC(=CC=C1CCl)CCl
Synonym 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772
IUPAC Name 1,4-bis(chloromethyl)benzene
InChI Key ZZHIDJWUJRKHGX-UHFFFAOYSA-N
249
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3,5-Dinitrosalicylic acid, 98%

CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.12 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

PubChem CID 11873
CAS 609-99-4
Molecular Weight (g/mol) 228.12
ChEBI CHEBI:53648
MDL Number MFCD00007104
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
Synonym 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
InChI Key LWFUFLREGJMOIZ-UHFFFAOYSA-N
Molecular Formula C7H4N2O7
250
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9-Acetylanthracene, 96%

CAS: 784-04-3 Molecular Formula: C16H12O Molecular Weight (g/mol): 220.271 MDL Number: MFCD00001259 InChI Key: NXXNVJDXUHMAHU-UHFFFAOYSA-N Synonym: 9-acetylanthracene,1-anthracen-9-yl ethanone,9-acetoanthracene,9-anthryl methyl ketone,ethanone, 1-9-anthracenyl,1-9-anthryl ethanone,ketone, 9-anthryl methyl,9-acetyl anthracene,9-acetylanthrancene,9-acetylantracene PubChem CID: 69911 IUPAC Name: 1-anthracen-9-ylethanone SMILES: CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

PubChem CID 69911
CAS 784-04-3
Molecular Weight (g/mol) 220.271
MDL Number MFCD00001259
SMILES CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
Synonym 9-acetylanthracene,1-anthracen-9-yl ethanone,9-acetoanthracene,9-anthryl methyl ketone,ethanone, 1-9-anthracenyl,1-9-anthryl ethanone,ketone, 9-anthryl methyl,9-acetyl anthracene,9-acetylanthrancene,9-acetylantracene
IUPAC Name 1-anthracen-9-ylethanone
InChI Key NXXNVJDXUHMAHU-UHFFFAOYSA-N
Molecular Formula C16H12O
251
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2,6-Di-tert-butyl-4-methylphenol, 99%

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.35
ChEBI CHEBI:34247
MDL Number MFCD00011644
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
252
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Bis(3,5,6-trichloro-2-n-pentyloxycarbonylphenyl) oxalate, 95%

CAS: 75203-51-9 Molecular Formula: C26H24Cl6O8 Molecular Weight (g/mol): 677.17 MDL Number: MFCD00012038 InChI Key: PURKHUDOTFUVNG-UHFFFAOYSA-N Synonym: cppo,bis 2-carbopentyloxy-3,5,6-trichlorophenyl oxalate,bis 2,3,5-trichloro-6-pentyloxy carbonyl phenyl oxalate,bis 2-carbopentyloxy-3,5,6-trichloro-phenyl oxal,ethanedioic acid, bis 2,3,5-trichloro-6-pentyloxy carbonyl phenyl ester,pentyl 3,4,6-trichloro-2-2-oxo-2-2,3,5-trichloro-6-pentyloxy carbonyl phenoxy acetyl oxy benzoate,bis 2,3,5-trichloro-6-pentoxycarbonylphenyl oxalate,bis 2,3,5-trichloro-6-pentoxycarbonyl-phenyl oxalate PubChem CID: 3018575 IUPAC Name: bis(2,3,5-trichloro-6-pentoxycarbonylphenyl) oxalate SMILES: CCCCCOC(=O)C1=C(C(=C(C=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=CC(=C2Cl)Cl)Cl)C(=O)OCCCCC

PubChem CID 3018575
CAS 75203-51-9
Molecular Weight (g/mol) 677.17
MDL Number MFCD00012038
SMILES CCCCCOC(=O)C1=C(C(=C(C=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=CC(=C2Cl)Cl)Cl)C(=O)OCCCCC
Synonym cppo,bis 2-carbopentyloxy-3,5,6-trichlorophenyl oxalate,bis 2,3,5-trichloro-6-pentyloxy carbonyl phenyl oxalate,bis 2-carbopentyloxy-3,5,6-trichloro-phenyl oxal,ethanedioic acid, bis 2,3,5-trichloro-6-pentyloxy carbonyl phenyl ester,pentyl 3,4,6-trichloro-2-2-oxo-2-2,3,5-trichloro-6-pentyloxy carbonyl phenoxy acetyl oxy benzoate,bis 2,3,5-trichloro-6-pentoxycarbonylphenyl oxalate,bis 2,3,5-trichloro-6-pentoxycarbonyl-phenyl oxalate
IUPAC Name bis(2,3,5-trichloro-6-pentoxycarbonylphenyl) oxalate
InChI Key PURKHUDOTFUVNG-UHFFFAOYSA-N
Molecular Formula C26H24Cl6O8
253
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Phenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

PubChem CID 7583
CAS 101-84-8
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:39258
MDL Number MFCD00003034
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name phenoxybenzene
InChI Key USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula C12H10O
254
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Indane, 95%

CAS: 496-11-7 MDL Number: MFCD00003795 InChI Key: PQNFLJBBNBOBRQ-UHFFFAOYSA-N Synonym: indan,indane,hydrindene,benzocyclopentane,1h-indene, 2,3-dihydro,2,3-dihydroindene,1,2-hydrindene,hydrindonaphthene,indane alkane,indene, 2,3-dihydro PubChem CID: 10326 ChEBI: CHEBI:37911 IUPAC Name: 2,3-dihydro-1H-indene SMILES: C1CC2=CC=CC=C2C1

PubChem CID 10326
CAS 496-11-7
ChEBI CHEBI:37911
MDL Number MFCD00003795
SMILES C1CC2=CC=CC=C2C1
Synonym indan,indane,hydrindene,benzocyclopentane,1h-indene, 2,3-dihydro,2,3-dihydroindene,1,2-hydrindene,hydrindonaphthene,indane alkane,indene, 2,3-dihydro
IUPAC Name 2,3-dihydro-1H-indene
InChI Key PQNFLJBBNBOBRQ-UHFFFAOYSA-N
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4-Methylbenzophenone, 98%

CAS: 134-84-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008553 InChI Key: WXPWZZHELZEVPO-UHFFFAOYSA-N Synonym: 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl PubChem CID: 8652 IUPAC Name: (4-methylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

PubChem CID 8652
CAS 134-84-9
Molecular Weight (g/mol) 196.249
MDL Number MFCD00008553
SMILES CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl
IUPAC Name (4-methylphenyl)-phenylmethanone
InChI Key WXPWZZHELZEVPO-UHFFFAOYSA-N
Molecular Formula C14H12O