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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 (129,842)
Phenols (24,890)
Naphthalenes (6,294)
Phenol esters (4,685)
Unsubstituted Phenols (1,453)
Fluorenes (1,297)
Thiophenols (748)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (340)
Pyrenes (286)
Triphenyl compounds (280)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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571 – 585 of 158,383 results
571
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4-(Bromomethyl)benzeneboronic acid pinacol ester, 95%

CAS: 138500-85-3 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 297.00 MDL Number: MFCD02179493 InChI Key: CBUOGMOTDGNEAW-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester PubChem CID: 3734506 IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1

PubChem CID 3734506
CAS 138500-85-3
Molecular Weight (g/mol) 297.00
MDL Number MFCD02179493
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1
Synonym 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester
IUPAC Name 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key CBUOGMOTDGNEAW-UHFFFAOYSA-N
Molecular Formula C13H18BBrO2
572
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L(+)-Amethopterin hydrate, 99%

CAS: 133073-73-1 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.45 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-UGPWUYPHNA-N Synonym: l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate PubChem CID: 45157423 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

PubChem CID 45157423
CAS 133073-73-1
Molecular Weight (g/mol) 454.45
MDL Number MFCD00150847
SMILES CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Synonym l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate
IUPAC Name (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate
InChI Key FBOZXECLQNJBKD-UGPWUYPHNA-N
Molecular Formula C20H22N8O5
573
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2,4-Di-tert-butylphenol, 97%

CAS: 96-76-4 MDL Number: MFCD00008828 InChI Key: ICKWICRCANNIBI-UHFFFAOYSA-N Synonym: 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt PubChem CID: 7311 IUPAC Name: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

PubChem CID 7311
CAS 96-76-4
MDL Number MFCD00008828
SMILES CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
Synonym 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt
IUPAC Name 2,4-ditert-butylphenol
InChI Key ICKWICRCANNIBI-UHFFFAOYSA-N
574
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4-Fluoroanisole, 99%

CAS: 459-60-9 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000348 InChI Key: VIPWUFMFHBIKQI-UHFFFAOYSA-N Synonym: 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene PubChem CID: 9987 IUPAC Name: 1-fluoro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)F

PubChem CID 9987
CAS 459-60-9
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000348
SMILES COC1=CC=C(C=C1)F
Synonym 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene
IUPAC Name 1-fluoro-4-methoxybenzene
InChI Key VIPWUFMFHBIKQI-UHFFFAOYSA-N
Molecular Formula C7H7FO
575
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4-Chlorobenzyl chloride, 99+%

CAS: 104-83-6 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.03 MDL Number: MFCD00000914 InChI Key: JQZAEUFPPSRDOP-UHFFFAOYSA-N Synonym: 4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro PubChem CID: 7723 IUPAC Name: 1-chloro-4-(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)Cl

PubChem CID 7723
CAS 104-83-6
Molecular Weight (g/mol) 161.03
MDL Number MFCD00000914
SMILES C1=CC(=CC=C1CCl)Cl
Synonym 4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro
IUPAC Name 1-chloro-4-(chloromethyl)benzene
InChI Key JQZAEUFPPSRDOP-UHFFFAOYSA-N
Molecular Formula C7H6Cl2
576
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3-Hydroxybenzoic acid, 99%

CAS: 99-06-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002506 InChI Key: IJFXRHURBJZNAO-UHFFFAOYSA-N Synonym: m-hydroxybenzoic acid,m-salicylic acid,3-carboxyphenol,benzoic acid, 3-hydroxy,m-hba,3-hydroxybenzoate,benzoic acid, m-hydroxy,acido m-idrossibenzoico,meta-hydroxybenzoic acid,kyselina 3-hydroxybenzoova PubChem CID: 7420 ChEBI: CHEBI:30764 IUPAC Name: 3-hydroxybenzoic acid SMILES: OC(=O)C1=CC=CC(O)=C1

PubChem CID 7420
CAS 99-06-9
Molecular Weight (g/mol) 138.12
ChEBI CHEBI:30764
MDL Number MFCD00002506
SMILES OC(=O)C1=CC=CC(O)=C1
Synonym m-hydroxybenzoic acid,m-salicylic acid,3-carboxyphenol,benzoic acid, 3-hydroxy,m-hba,3-hydroxybenzoate,benzoic acid, m-hydroxy,acido m-idrossibenzoico,meta-hydroxybenzoic acid,kyselina 3-hydroxybenzoova
IUPAC Name 3-hydroxybenzoic acid
InChI Key IJFXRHURBJZNAO-UHFFFAOYSA-N
Molecular Formula C7H6O3
577
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4-Fluorophenol, 99%

CAS: 371-41-5 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.10 MDL Number: MFCD00002316 InChI Key: RHMPLDJJXGPMEX-UHFFFAOYSA-N Synonym: p-fluorophenol,phenol, 4-fluoro,phenol, p-fluoro,para-fluorophenol,4-fluoro phenol,4-fluoro-phenol,ccris 665,4-fluoranylphenol,fpn PubChem CID: 9732 IUPAC Name: 4-fluorophenol SMILES: OC1=CC=C(F)C=C1

PubChem CID 9732
CAS 371-41-5
Molecular Weight (g/mol) 112.10
MDL Number MFCD00002316
SMILES OC1=CC=C(F)C=C1
Synonym p-fluorophenol,phenol, 4-fluoro,phenol, p-fluoro,para-fluorophenol,4-fluoro phenol,4-fluoro-phenol,ccris 665,4-fluoranylphenol,fpn
IUPAC Name 4-fluorophenol
InChI Key RHMPLDJJXGPMEX-UHFFFAOYSA-N
Molecular Formula C6H5FO
578
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2-Hydroxybenzyl alcohol, 97%

CAS: 90-01-7 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004617 InChI Key: CQRYARSYNCAZFO-UHFFFAOYSA-N Synonym: salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol PubChem CID: 5146 ChEBI: CHEBI:16464 IUPAC Name: 2-(hydroxymethyl)phenol SMILES: OCC1=CC=CC=C1O

PubChem CID 5146
CAS 90-01-7
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:16464
MDL Number MFCD00004617
SMILES OCC1=CC=CC=C1O
Synonym salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol
IUPAC Name 2-(hydroxymethyl)phenol
InChI Key CQRYARSYNCAZFO-UHFFFAOYSA-N
Molecular Formula C7H8O2
579
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4-Isopropylphenol, 98%

CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O

PubChem CID 7465
CAS 99-89-8
Molecular Weight (g/mol) 136.19
MDL Number MFCD00002372
SMILES CC(C)C1=CC=C(C=C1)O
Synonym 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol
IUPAC Name 4-propan-2-ylphenol
InChI Key YQUQWHNMBPIWGK-UHFFFAOYSA-N
Molecular Formula C9H12O
580
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Dimethyl isophthalate, 99%

CAS: 1459-93-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008433 InChI Key: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonym: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester PubChem CID: 15088 IUPAC Name: dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC

PubChem CID 15088
CAS 1459-93-4
Molecular Weight (g/mol) 194.19
MDL Number MFCD00008433
SMILES COC(=O)C1=CC(=CC=C1)C(=O)OC
Synonym dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester
IUPAC Name dimethyl benzene-1,3-dicarboxylate
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
581
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Orcein, for analysis

CAS: 1400-62-0 Molecular Formula: C28H24N2O7 Molecular Weight (g/mol): 500.507 MDL Number: MFCD00062310 InChI Key: VPEASJIRGSVXBF-UHFFFAOYSA-N Synonym: orcein,pacein,2,8-bis 2,4-dihydroxy-6-methyl-anilino-1,9-dimethyl-dibenzofuran-3,7-dione,2,8-bis 2,4-dihydroxy-6-methylanilino-1,9-dimethyldibenzo b,d furan-3,7-dione,unii-655waw52f4,orcein 1g,c.i. natural red 28,ncistruc1_000110,ncistruc2_001941,2,4-dihydroxy-6-methylphenylamino-1,9-dimethyldibenzo b,d furan-3,7-dione PubChem CID: 5386447 IUPAC Name: 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione SMILES: CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O

PubChem CID 5386447
CAS 1400-62-0
Molecular Weight (g/mol) 500.507
MDL Number MFCD00062310
SMILES CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O
Synonym orcein,pacein,2,8-bis 2,4-dihydroxy-6-methyl-anilino-1,9-dimethyl-dibenzofuran-3,7-dione,2,8-bis 2,4-dihydroxy-6-methylanilino-1,9-dimethyldibenzo b,d furan-3,7-dione,unii-655waw52f4,orcein 1g,c.i. natural red 28,ncistruc1_000110,ncistruc2_001941,2,4-dihydroxy-6-methylphenylamino-1,9-dimethyldibenzo b,d furan-3,7-dione
IUPAC Name 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione
InChI Key VPEASJIRGSVXBF-UHFFFAOYSA-N
Molecular Formula C28H24N2O7
582
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(S)-(+)-alpha-Methoxyphenylacetic acid, 98%

CAS: 26164-26-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00064216 InChI Key: DIWVBIXQCNRCFE-QMMMGPOBSA-N Synonym: s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s PubChem CID: 643325 IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

PubChem CID 643325
CAS 26164-26-1
Molecular Weight (g/mol) 166.18
MDL Number MFCD00064216
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s
IUPAC Name (2S)-2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-QMMMGPOBSA-N
Molecular Formula C9H10O3
583
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(R)-(-)-alpha-Methoxyphenylacetic acid, 99%

CAS: 3966-32-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004250 InChI Key: DIWVBIXQCNRCFE-MRVPVSSYSA-N Synonym: r---alpha-methoxyphenylacetic acid,r-2-methoxy-2-phenylacetic acid,2r-2-methoxy-2-phenylacetic acid,r-methoxyphenylacetic acid,r-methoxy phenyl acetic acid,methoxy phenyl acetic acid #,r---.alpha.-methoxyphenylacetic acid,benzeneacetic acid, .alpha.-methoxy-, r,o-methyl-d-mandelic acid,ksc496q9j PubChem CID: 2724294 IUPAC Name: (2R)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

PubChem CID 2724294
CAS 3966-32-3
Molecular Weight (g/mol) 166.18
MDL Number MFCD00004250
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym r---alpha-methoxyphenylacetic acid,r-2-methoxy-2-phenylacetic acid,2r-2-methoxy-2-phenylacetic acid,r-methoxyphenylacetic acid,r-methoxy phenyl acetic acid,methoxy phenyl acetic acid #,r---.alpha.-methoxyphenylacetic acid,benzeneacetic acid, .alpha.-methoxy-, r,o-methyl-d-mandelic acid,ksc496q9j
IUPAC Name (2R)-2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-MRVPVSSYSA-N
Molecular Formula C9H10O3
584
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Ethyl hippurate, 96%

CAS: 1499-53-2 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.23 MDL Number: MFCD00026890 InChI Key: PTXRQIPIELXJFH-UHFFFAOYSA-N Synonym: ethyl hippurate,ethyl n-benzoylglycinate,n-benzoylglycine ethyl ester,ethyl 2-phenylformamido acetate,benzoic amide, n-ethoxycarbonyl methyl,ethylhippurate,ethyl benzoylaminoacetate,acmc-1buir,hippuric acid ethyl ester,maybridge1_006087 PubChem CID: 226558 IUPAC Name: ethyl 2-benzamidoacetate SMILES: CCOC(=O)CNC(=O)C1=CC=CC=C1

PubChem CID 226558
CAS 1499-53-2
Molecular Weight (g/mol) 207.23
MDL Number MFCD00026890
SMILES CCOC(=O)CNC(=O)C1=CC=CC=C1
Synonym ethyl hippurate,ethyl n-benzoylglycinate,n-benzoylglycine ethyl ester,ethyl 2-phenylformamido acetate,benzoic amide, n-ethoxycarbonyl methyl,ethylhippurate,ethyl benzoylaminoacetate,acmc-1buir,hippuric acid ethyl ester,maybridge1_006087
IUPAC Name ethyl 2-benzamidoacetate
InChI Key PTXRQIPIELXJFH-UHFFFAOYSA-N
Molecular Formula C11H13NO3
585
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2,4,6-Trimethylthiophenol, 97%

CAS: 1541-10-2 Molecular Formula: C9H12S Molecular Weight (g/mol): 152.255 MDL Number: MFCD00218475 InChI Key: PKANQZUPJCMBAK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylthiophenol,2,4,6-trimethylbenzene-1-thiol,benzenethiol,2,4,6-trimethyl,2-mercaptomesitylene,2-sulphanylmesitylene,acmc-20aoem,2,4,6-trimethyl-benzene-1-thiol PubChem CID: 284449 IUPAC Name: 2,4,6-trimethylbenzenethiol SMILES: CC1=CC(=C(C(=C1)C)S)C

PubChem CID 284449
CAS 1541-10-2
Molecular Weight (g/mol) 152.255
MDL Number MFCD00218475
SMILES CC1=CC(=C(C(=C1)C)S)C
Synonym 2,4,6-trimethylthiophenol,2,4,6-trimethylbenzene-1-thiol,benzenethiol,2,4,6-trimethyl,2-mercaptomesitylene,2-sulphanylmesitylene,acmc-20aoem,2,4,6-trimethyl-benzene-1-thiol
IUPAC Name 2,4,6-trimethylbenzenethiol
InChI Key PKANQZUPJCMBAK-UHFFFAOYSA-N
Molecular Formula C9H12S