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.

16 – 30 of 54,619 results

Cinnamonitrile, 97%, predominantly trans

CAS: 1885-38-7 Molecular Formula: C₉H₇N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N

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Specifications

PubChem CID	1550846
CAS	1885-38-7
Molecular Weight (g/mol)	129.16
MDL Number	MFCD00001930
SMILES	C1=CC=C(C=C1)C=CC#N
Synonym	cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile
IUPAC Name	(E)-3-phenylprop-2-enenitrile
InChI Key	ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Molecular Formula	C₉H₇N

4-Bromophenylacetic acid, 99%

CAS: 1878-68-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00004342 InChI Key: QOWSWEBLNVACCL-UHFFFAOYSA-N Synonym: 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german PubChem CID: 74654 ChEBI: CHEBI:1790 IUPAC Name: 2-(4-bromophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(Br)C=C1

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Specifications

PubChem CID	74654
CAS	1878-68-8
Molecular Weight (g/mol)	215.05
ChEBI	CHEBI:1790
MDL Number	MFCD00004342
SMILES	OC(=O)CC1=CC=C(Br)C=C1
Synonym	4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german
IUPAC Name	2-(4-bromophenyl)acetic acid
InChI Key	QOWSWEBLNVACCL-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

Thermo Scientific Chemicals 6-Carboxyfluorescein, 96%

CAS: 3301-79-9 Molecular Formula: C₂₁H₁₂O₇ Molecular Weight (g/mol): 376.32 MDL Number: MFCD00036873 InChI Key: BZTDTCNHAFUJOG-UHFFFAOYSA-N Synonym: 6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504 PubChem CID: 76806 ChEBI: CHEBI:39073 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

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Specifications

PubChem CID	76806
CAS	3301-79-9
Molecular Weight (g/mol)	376.32
ChEBI	CHEBI:39073
MDL Number	MFCD00036873
SMILES	C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Synonym	6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504
IUPAC Name	3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI Key	BZTDTCNHAFUJOG-UHFFFAOYSA-N
Molecular Formula	C₂₁H₁₂O₇

Benzylamine hydrochloride, 99%

CAS: 3287-99-8 Molecular Formula: C₇H₉N·ClH Molecular Weight (g/mol): 143.62 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl

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Specifications

PubChem CID	2724127
CAS	3287-99-8
Molecular Weight (g/mol)	143.62
MDL Number	MFCD00012852
SMILES	C1=CC=C(C=C1)CN.Cl
Synonym	benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt
IUPAC Name	phenylmethanamine;hydrochloride
InChI Key	XKXHCNPAFAXVRZ-UHFFFAOYSA-N
Molecular Formula	C₇H₉N·ClH

4-Ethylbenzoic acid, 97%

CAS: 619-64-7 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

3,4-Dimethylbenzaldehyde, 97%

CAS: 5973-71-7 Molecular Formula: C₉H₁₀O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00016612 InChI Key: POQJHLBMLVTHAU-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde PubChem CID: 22278 IUPAC Name: 3,4-dimethylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)C

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Specifications

PubChem CID	22278
CAS	5973-71-7
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00016612
SMILES	CC1=C(C=C(C=C1)C=O)C
Synonym	benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde
IUPAC Name	3,4-dimethylbenzaldehyde
InChI Key	POQJHLBMLVTHAU-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O

3-Fluoroaniline, 98%

CAS: 372-19-0 Molecular Formula: C₆H₆FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N

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Specifications

PubChem CID	9742
CAS	372-19-0
Molecular Weight (g/mol)	111.12
ChEBI	CHEBI:27873
MDL Number	MFCD00007758
SMILES	C1=CC(=CC(=C1)F)N
Synonym	m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech
IUPAC Name	3-fluoroaniline
InChI Key	QZVQQUVWFIZUBQ-UHFFFAOYSA-N
Molecular Formula	C₆H₆FN

2-Naphthalenesulfonic acid hydrate, 90%, Technical

CAS: 76530-12-6 Molecular Formula: C10H8O3S Molecular Weight (g/mol): 208.23 MDL Number: MFCD00149271 InChI Key: KVBGVZZKJNLNJU-UHFFFAOYSA-N Synonym: naphthalene-2-sulfonic acid hydrate,2-naphthalenesulfonic acid hydrate,2-naphthalenesulfonic acid monohydrate,2-naphthalenesulfonicacid, hydrate 1:1,kyselina2-naftalensulfonova,acmc-20aj4s,ksc352o8d,c10h8so3.h2o,2-naphthalene-sulfonic acid monohydrate,naphthalene-2-sulphonic acid monohydrate PubChem CID: 20499058 IUPAC Name: naphthalene-2-sulfonic acid;hydrate SMILES: OS(=O)(=O)C1=CC=C2C=CC=CC2=C1

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Specifications

PubChem CID	20499058
CAS	76530-12-6
Molecular Weight (g/mol)	208.23
MDL Number	MFCD00149271
SMILES	OS(=O)(=O)C1=CC=C2C=CC=CC2=C1
Synonym	naphthalene-2-sulfonic acid hydrate,2-naphthalenesulfonic acid hydrate,2-naphthalenesulfonic acid monohydrate,2-naphthalenesulfonicacid, hydrate 1:1,kyselina2-naftalensulfonova,acmc-20aj4s,ksc352o8d,c10h8so3.h2o,2-naphthalene-sulfonic acid monohydrate,naphthalene-2-sulphonic acid monohydrate
IUPAC Name	naphthalene-2-sulfonic acid;hydrate
InChI Key	KVBGVZZKJNLNJU-UHFFFAOYSA-N
Molecular Formula	C10H8O3S

Benzenesulfonamide, 98+%

CAS: 98-10-2 Molecular Formula: C₆H₇NO₂S Molecular Weight (g/mol): 157.19 MDL Number: MFCD00007930 InChI Key: KHBQMWCZKVMBLN-UHFFFAOYSA-N Synonym: benzenesulphonamide,benzosulfonamide,benzolsulfonamide,phenyl sulfonamide,benzene sulfonamide,phenylsulfonamide,m and b 7973,chembl27601,benzolsulfonamid,benzensulfonamide PubChem CID: 7370 IUPAC Name: benzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N

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Specifications

PubChem CID	7370
CAS	98-10-2
Molecular Weight (g/mol)	157.19
MDL Number	MFCD00007930
SMILES	C1=CC=C(C=C1)S(=O)(=O)N
Synonym	benzenesulphonamide,benzosulfonamide,benzolsulfonamide,phenyl sulfonamide,benzene sulfonamide,phenylsulfonamide,m and b 7973,chembl27601,benzolsulfonamid,benzensulfonamide
IUPAC Name	benzenesulfonamide
InChI Key	KHBQMWCZKVMBLN-UHFFFAOYSA-N
Molecular Formula	C₆H₇NO₂S

Methyl pentafluorobenzoate, 99%

CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

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Specifications

PubChem CID	606853
CAS	36629-42-2
Molecular Weight (g/mol)	226.10
MDL Number	MFCD00012172
SMILES	COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym	methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester
IUPAC Name	methyl 2,3,4,5,6-pentafluorobenzoate
InChI Key	UXJRQNXHCZKHRJ-UHFFFAOYSA-N
Molecular Formula	C8H3F5O2

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

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Specifications

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

3-Nitrotoluene, 99%

CAS: 99-08-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007265 InChI Key: QZYHIOPPLUPUJF-UHFFFAOYSA-N Synonym: 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m PubChem CID: 7422 ChEBI: CHEBI:39931 IUPAC Name: 1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1)[N+]([O-])=O

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Specifications

PubChem CID	7422
CAS	99-08-1
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:39931
MDL Number	MFCD00007265
SMILES	CC1=CC=CC(=C1)[N+]([O-])=O
Synonym	3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m
IUPAC Name	1-methyl-3-nitrobenzene
InChI Key	QZYHIOPPLUPUJF-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

3,5-Dibromoaniline, 98%

CAS: 626-40-4 Molecular Formula: C₆H₅Br₂N Molecular Weight (g/mol): 250.92 InChI Key: RVNUUWJGSOHMRR-UHFFFAOYSA-N Synonym: 3,5-dibromophenylamine,3,5-dibromanilin,benzenamine, 3,5-dibromo,1-amino-3,5-dibromobenzene,3,5-dibromobenzeneamine,3,5-dibromoamiline,3,5-di-bromo-aniline,3,5-dibromo-phenylamine,acmc-1b0ij,ksc493e8l PubChem CID: 221512 IUPAC Name: 3,5-dibromoaniline SMILES: C1=C(C=C(C=C1Br)Br)N

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Specifications

PubChem CID	221512
CAS	626-40-4
Molecular Weight (g/mol)	250.92
SMILES	C1=C(C=C(C=C1Br)Br)N
Synonym	3,5-dibromophenylamine,3,5-dibromanilin,benzenamine, 3,5-dibromo,1-amino-3,5-dibromobenzene,3,5-dibromobenzeneamine,3,5-dibromoamiline,3,5-di-bromo-aniline,3,5-dibromo-phenylamine,acmc-1b0ij,ksc493e8l
IUPAC Name	3,5-dibromoaniline
InChI Key	RVNUUWJGSOHMRR-UHFFFAOYSA-N
Molecular Formula	C₆H₅Br₂N

4-(Trifluoromethyl)benzenesulfonyl chloride, 98%

CAS: 2991-42-6 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.61 MDL Number: MFCD00042422 InChI Key: OZDCZHDOIBUGAJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl PubChem CID: 2777399 IUPAC Name: 4-(trifluoromethyl)benzenesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O

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Specifications

PubChem CID	2777399
CAS	2991-42-6
Molecular Weight (g/mol)	244.61
MDL Number	MFCD00042422
SMILES	FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O
Synonym	4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl
IUPAC Name	4-(trifluoromethyl)benzenesulfonyl chloride
InChI Key	OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Molecular Formula	C7H4ClF3O2S

Benzophenone oxime, 98%

CAS: 574-66-3 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00051461 InChI Key: DNYZBFWKVMKMRM-UHFFFAOYSA-N Synonym: benzophenone oxime,diphenylmethanone oxime,benzophenoxime,methanone, diphenyl-, oxime,diphenyl ketoxime,benzophenoneoxime,diphenylmethylene hydroxylamine,benzophenone, oxime,unii-2dlj8c37dq,diphenylketone oxime PubChem CID: 11324 IUPAC Name: N-benzhydrylidenehydroxylamine SMILES: ON=C(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11324
CAS	574-66-3
Molecular Weight (g/mol)	197.24
MDL Number	MFCD00051461
SMILES	ON=C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzophenone oxime,diphenylmethanone oxime,benzophenoxime,methanone, diphenyl-, oxime,diphenyl ketoxime,benzophenoneoxime,diphenylmethylene hydroxylamine,benzophenone, oxime,unii-2dlj8c37dq,diphenylketone oxime
IUPAC Name	N-benzhydrylidenehydroxylamine
InChI Key	DNYZBFWKVMKMRM-UHFFFAOYSA-N
Molecular Formula	C13H11NO

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