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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 (128,737)
Phenols (24,765)
Naphthalenes (6,294)
Phenol esters (4,693)
Unsubstituted Phenols (1,439)
Fluorenes (1,296)
Thiophenols (747)
Anthracenes (509)
Indanes (479)
Phenanthrenes and derivatives (357)
Tetralins (339)
Pyrenes (298)
Triphenyl compounds (279)
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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2,206 – 2,220 of 157,166 results
2,206
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2,5-Dichlorophenol, 98%

CAS: 583-78-8 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002174 InChI Key: RANCECPPZPIPNO-UHFFFAOYSA-N Synonym: phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003 PubChem CID: 66 ChEBI: CHEBI:27929 IUPAC Name: 2,5-dichlorophenol SMILES: OC1=CC(Cl)=CC=C1Cl

PubChem CID 66
CAS 583-78-8
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:27929
MDL Number MFCD00002174
SMILES OC1=CC(Cl)=CC=C1Cl
Synonym phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003
IUPAC Name 2,5-dichlorophenol
InChI Key RANCECPPZPIPNO-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
2,207
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(Methoxymethyl)triphenylphosphonium chloride, 98%

CAS: 4009-98-7 Molecular Formula: C20H20ClOP Molecular Weight (g/mol): 342.80 MDL Number: MFCD00011800 InChI Key: SJFNDMHZXCUXSA-UHFFFAOYSA-M Synonym: methoxymethyl triphenylphosphonium chloride,methoxymethyl triphenylphosphanium chloride,phosphonium, methoxymethyl triphenyl-, chloride,methoxymethyltriphenylphosphonium chloride,methoxymethyl-triphenylphosphonium chloride,methoxymethyl-triphenyl-phosphonium chloride,triphenyl methoxymethyl phosphonium chloride,methoxy methyl triphenyl phosphonium chloride PubChem CID: 2723798 IUPAC Name: methoxymethyl(triphenyl)phosphanium;chloride SMILES: [Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2723798
CAS 4009-98-7
Molecular Weight (g/mol) 342.80
MDL Number MFCD00011800
SMILES [Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym methoxymethyl triphenylphosphonium chloride,methoxymethyl triphenylphosphanium chloride,phosphonium, methoxymethyl triphenyl-, chloride,methoxymethyltriphenylphosphonium chloride,methoxymethyl-triphenylphosphonium chloride,methoxymethyl-triphenyl-phosphonium chloride,triphenyl methoxymethyl phosphonium chloride,methoxy methyl triphenyl phosphonium chloride
IUPAC Name methoxymethyl(triphenyl)phosphanium;chloride
InChI Key SJFNDMHZXCUXSA-UHFFFAOYSA-M
Molecular Formula C20H20ClOP
2,208

4-Aminohippuric acid, 99%

CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

PubChem CID 2148
CAS 61-78-9
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:104011
MDL Number MFCD00007890
SMILES C1=CC(=CC=C1C(=O)NCC(=O)O)N
Synonym 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine
IUPAC Name 2-[(4-aminobenzoyl)amino]acetic acid
InChI Key HSMNQINEKMPTIC-UHFFFAOYSA-N
2,209
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4-(Trifluoromethyl)styrene, 98%, stab.

CAS: 402-50-6 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075539 InChI Key: CEWDRCQPGANDRS-UHFFFAOYSA-N Synonym: 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr PubChem CID: 2782798 IUPAC Name: 1-ethenyl-4-(trifluoromethyl)benzene SMILES: C=CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 2782798
CAS 402-50-6
Molecular Weight (g/mol) 172.15
MDL Number MFCD00075539
SMILES C=CC1=CC=C(C=C1)C(F)(F)F
Synonym 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr
IUPAC Name 1-ethenyl-4-(trifluoromethyl)benzene
InChI Key CEWDRCQPGANDRS-UHFFFAOYSA-N
Molecular Formula C9H7F3
2,210
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Phenylpyruvic acid, sodium salt monohydrate, 98%

CAS: 122049-54-1 Molecular Formula: C9H7O3 Molecular Weight (g/mol): 163.15 MDL Number: MFCD00149109 InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-M Synonym: sodium phenylpyruvate monohydrate,sodium 2-oxo-3-phenylpropanoate hydrate,phenylpyruvic acid sodium salt monohydrate,phenylpyruvic acid, sodium salt,sodium hydrate ?-phenylpyruvate,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,acmc-2099lh,phenylpyruvic acid sodium hydrate,beta-phenylpyruvic acid, sodium salt PubChem CID: 23666336 IUPAC Name: sodium;2-oxo-3-phenylpropanoate;hydrate SMILES: [O-]C(=O)C(=O)CC1=CC=CC=C1

PubChem CID 23666336
CAS 122049-54-1
Molecular Weight (g/mol) 163.15
MDL Number MFCD00149109
SMILES [O-]C(=O)C(=O)CC1=CC=CC=C1
Synonym sodium phenylpyruvate monohydrate,sodium 2-oxo-3-phenylpropanoate hydrate,phenylpyruvic acid sodium salt monohydrate,phenylpyruvic acid, sodium salt,sodium hydrate ?-phenylpyruvate,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,acmc-2099lh,phenylpyruvic acid sodium hydrate,beta-phenylpyruvic acid, sodium salt
IUPAC Name sodium;2-oxo-3-phenylpropanoate;hydrate
InChI Key BTNMPGBKDVTSJY-UHFFFAOYSA-M
Molecular Formula C9H7O3
2,211
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1-Phenyl-1,2-propanedione, 98%

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

PubChem CID 11363
CAS 579-07-7
Molecular Weight (g/mol) 148.16
ChEBI CHEBI:63552
MDL Number MFCD00008755
SMILES CC(=O)C(=O)C1=CC=CC=C1
Synonym 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name 1-phenylpropane-1,2-dione
InChI Key BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula C9H8O2
2,212
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3-Nitro-1,8-naphthalic anhydride, 98%

CAS: 3027-38-1 Molecular Formula: C12H5NO5 Molecular Weight (g/mol): 243.17 MDL Number: MFCD00006926 InChI Key: FLFLZYYDLIKGJQ-UHFFFAOYSA-N Synonym: 3-nitro-1,8-naphthalic anhydride,3-nitronaphthalic anhydride,naphthalic anhydride, 3-nitro,5-nitro-1h,3h-benzo de isochromene-1,3-dione,5-nitrobenzo de isochromene-1,3-dione,1h,3h-naphtho 1,8-cd pyran-1,3-dione, 5-nitro,11-nitro-3-oxatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaene-2,4-dione,7-nitro-3-oxatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaene-2,4-dione,5-17-11-00495 beilstein handbook reference PubChem CID: 18194 IUPAC Name: 11-nitro-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione SMILES: [O-][N+](=O)C1=CC2=C3C(C=CC=C3C(=O)OC2=O)=C1

PubChem CID 18194
CAS 3027-38-1
Molecular Weight (g/mol) 243.17
MDL Number MFCD00006926
SMILES [O-][N+](=O)C1=CC2=C3C(C=CC=C3C(=O)OC2=O)=C1
Synonym 3-nitro-1,8-naphthalic anhydride,3-nitronaphthalic anhydride,naphthalic anhydride, 3-nitro,5-nitro-1h,3h-benzo de isochromene-1,3-dione,5-nitrobenzo de isochromene-1,3-dione,1h,3h-naphtho 1,8-cd pyran-1,3-dione, 5-nitro,11-nitro-3-oxatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaene-2,4-dione,7-nitro-3-oxatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaene-2,4-dione,5-17-11-00495 beilstein handbook reference
IUPAC Name 11-nitro-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
InChI Key FLFLZYYDLIKGJQ-UHFFFAOYSA-N
Molecular Formula C12H5NO5
2,213
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2-(Methylsulfonyl)benzeneboronic acid, 98%

CAS: 330804-03-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD02179472 InChI Key: MSQFFCRGQPVQRS-UHFFFAOYSA-N Synonym: 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid PubChem CID: 2773539 IUPAC Name: (2-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC=CC=C1S(=O)(=O)C)(O)O

PubChem CID 2773539
CAS 330804-03-0
Molecular Weight (g/mol) 200.015
MDL Number MFCD02179472
SMILES B(C1=CC=CC=C1S(=O)(=O)C)(O)O
Synonym 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid
IUPAC Name (2-methylsulfonylphenyl)boronic acid
InChI Key MSQFFCRGQPVQRS-UHFFFAOYSA-N
Molecular Formula C7H9BO4S
2,214
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6-Bromo-1-tetralone, 96%, Thermo Scientific Chemicals

CAS: 66361-67-9 Molecular Formula: C10H9BrO Molecular Weight (g/mol): 225.09 MDL Number: MFCD04114378 InChI Key: OSDHOOBPMBLALZ-UHFFFAOYSA-N Synonym: 6-bromo-1-tetralone,6-bromo-3,4-dihydronaphthalen-1 2h-one,6-bromotetral-1-one,6-bromo-tetral-1-on,6-bromotetralone,1 2h-naphthalenone, 6-bromo-3,4-dihydro,6-bromo-1,2,3,4-tetrahydronaphthalen-1-one,6-bromo-3,4-dihydro-1 2h-naphthalenone,6-bromoteralone,6-bromo-tetralone PubChem CID: 10105069 IUPAC Name: 6-bromo-3,4-dihydro-2H-naphthalen-1-one SMILES: BrC1=CC2=C(C=C1)C(=O)CCC2

PubChem CID 10105069
CAS 66361-67-9
Molecular Weight (g/mol) 225.09
MDL Number MFCD04114378
SMILES BrC1=CC2=C(C=C1)C(=O)CCC2
Synonym 6-bromo-1-tetralone,6-bromo-3,4-dihydronaphthalen-1 2h-one,6-bromotetral-1-one,6-bromo-tetral-1-on,6-bromotetralone,1 2h-naphthalenone, 6-bromo-3,4-dihydro,6-bromo-1,2,3,4-tetrahydronaphthalen-1-one,6-bromo-3,4-dihydro-1 2h-naphthalenone,6-bromoteralone,6-bromo-tetralone
IUPAC Name 6-bromo-3,4-dihydro-2H-naphthalen-1-one
InChI Key OSDHOOBPMBLALZ-UHFFFAOYSA-N
Molecular Formula C10H9BrO
2,215
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Furosemide, USP, 98-102%, Spectrum™ Chemical

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N IUPAC Name: 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid SMILES: NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl

CAS 54-31-9
Molecular Weight (g/mol) 330.74
SMILES NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl
IUPAC Name 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid
InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O5S
2,216
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Hydrous Benzoyl Peroxide, USP, 70-80%, Spectrum™ Chemical

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N IUPAC Name: benzoyl benzenecarboperoxoate SMILES: O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1

CAS 94-36-0
Molecular Weight (g/mol) 242.23
SMILES O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
2,217

1-(2,3-Dihydrobenzo[b]furan-5-yl)ethan-1-one, 97%, Thermo Scientific™

CAS: 90843-31-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00068033 InChI Key: MMVUJVASBDVNGJ-UHFFFAOYSA-N Synonym: 5-acetyl-2,3-dihydrobenzo b furan,5-acetyl-2,3-dihydrobenzofuran,1-2,3-dihydro-1-benzofuran-5-yl ethanone,1-2,3-dihydrobenzofuran-5-yl ethanone,1-2,3-dihydrobenzo b furan-5-yl ethan-1-one,1-2,3-dihydro-benzofuran-5-yl-ethanone,1-2,3-dihydro-5-benzofuranyl ethanone,1-2,3-dihydro-1-benzofuran-5-yl ethan-1-one,5-acetyl-2,3-dihydro-1-benzofuran PubChem CID: 145220 IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone SMILES: CC(=O)C1=CC=C2OCCC2=C1

PubChem CID 145220
CAS 90843-31-5
Molecular Weight (g/mol) 162.19
MDL Number MFCD00068033
SMILES CC(=O)C1=CC=C2OCCC2=C1
Synonym 5-acetyl-2,3-dihydrobenzo b furan,5-acetyl-2,3-dihydrobenzofuran,1-2,3-dihydro-1-benzofuran-5-yl ethanone,1-2,3-dihydrobenzofuran-5-yl ethanone,1-2,3-dihydrobenzo b furan-5-yl ethan-1-one,1-2,3-dihydro-benzofuran-5-yl-ethanone,1-2,3-dihydro-5-benzofuranyl ethanone,1-2,3-dihydro-1-benzofuran-5-yl ethan-1-one,5-acetyl-2,3-dihydro-1-benzofuran
IUPAC Name 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
InChI Key MMVUJVASBDVNGJ-UHFFFAOYSA-N
Molecular Formula C10H10O2
2,218
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Dibenzoyl peroxide, 75%, remainder water

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
2,219
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Acetone, Electronic/Cleanroom Grade, 99.5%, Spectrum™ Chemical

CAS: 67-64-1 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00008765 InChI Key: CSCPPACGZOOCGX-UHFFFAOYSA-N IUPAC Name: propan-2-one SMILES: CC(C)=O

CAS 67-64-1
Molecular Weight (g/mol) 58.08
MDL Number MFCD00008765
SMILES CC(C)=O
IUPAC Name propan-2-one
InChI Key CSCPPACGZOOCGX-UHFFFAOYSA-N
Molecular Formula C3H6O
2,220
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Phenoxybenzamine Hydrochloride, USP, 98-101%, Spectrum™ Chemical

CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.29 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYNA-N IUPAC Name: hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride SMILES: [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1

CAS 63-92-3
Molecular Weight (g/mol) 340.29
SMILES [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
IUPAC Name hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride
InChI Key VBCPVIWPDJVHAN-UHFFFAOYNA-N
Molecular Formula C18H23Cl2NO