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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 (67,620)
Phenols (13,422)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (559)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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6,226 – 6,240 of 78,436 results
6,226

Neostigmine Bromide 99.0+%, TCI America™

CAS: 114-80-7 Molecular Formula: C12H19BrN2O2 Molecular Weight (g/mol): 303.20 MDL Number: MFCD00011795 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M Synonym: neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide PubChem CID: 8246 ChEBI: CHEBI:179557 IUPAC Name: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide SMILES: [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C

PubChem CID 8246
CAS 114-80-7
Molecular Weight (g/mol) 303.20
ChEBI CHEBI:179557
MDL Number MFCD00011795
SMILES [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
Synonym neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide
IUPAC Name 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
InChI Key LULNWZDBKTWDGK-UHFFFAOYSA-M
Molecular Formula C12H19BrN2O2
6,227

p-Toluidine Hydrochloride 98.0+%, TCI America™

CAS: 540-23-8 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.61 MDL Number: MFCD00035497 InChI Key: JQKBUTDZZRGQDR-UHFFFAOYSA-N PubChem CID: 10891 IUPAC Name: hydrogen 4-methylaniline chloride SMILES: [H+].[Cl-].CC1=CC=C(N)C=C1

PubChem CID 10891
CAS 540-23-8
Molecular Weight (g/mol) 143.61
MDL Number MFCD00035497
SMILES [H+].[Cl-].CC1=CC=C(N)C=C1
IUPAC Name hydrogen 4-methylaniline chloride
InChI Key JQKBUTDZZRGQDR-UHFFFAOYSA-N
Molecular Formula C7H10ClN
6,228

Benzo[a]phenanthrene (purified by sublimation) 98.0+%, TCI America™

CAS: 218-01-9 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003698 InChI Key: WDECIBYCCFPHNR-UHFFFAOYSA-N Synonym: benzo a phenanthrene,1,2-benzophenanthrene,1,2-benzphenanthrene,1,2,5,6-dibenzonaphthalene,benz a phenanthrene,chrysen,rcra waste number u050,rcra waste no. u050 PubChem CID: 9171 ChEBI: CHEBI:51687 IUPAC Name: chrysene SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

PubChem CID 9171
CAS 218-01-9
Molecular Weight (g/mol) 228.294
ChEBI CHEBI:51687
MDL Number MFCD00003698
SMILES C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Synonym benzo a phenanthrene,1,2-benzophenanthrene,1,2-benzphenanthrene,1,2,5,6-dibenzonaphthalene,benz a phenanthrene,chrysen,rcra waste number u050,rcra waste no. u050
IUPAC Name chrysene
InChI Key WDECIBYCCFPHNR-UHFFFAOYSA-N
Molecular Formula C18H12
6,229

Ethyl Phenyl Sulfide 98.0+%, TCI America™

CAS: 622-38-8 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00009265 InChI Key: AEHWKBXBXYNPCX-UHFFFAOYSA-N Synonym: ethyl phenyl sulfide,ethylthio benzene,benzene, ethylthio,thiophenetole,phenyl ethyl sulfide,ethylphenylsulfide,phenylthio ethane,ethylsulfanyl benzene,sulfide, ethyl phenyl,1-thiapropyl benzene PubChem CID: 12144 IUPAC Name: (ethylsulfanyl)benzene SMILES: CCSC1=CC=CC=C1

PubChem CID 12144
CAS 622-38-8
Molecular Weight (g/mol) 138.23
MDL Number MFCD00009265
SMILES CCSC1=CC=CC=C1
Synonym ethyl phenyl sulfide,ethylthio benzene,benzene, ethylthio,thiophenetole,phenyl ethyl sulfide,ethylphenylsulfide,phenylthio ethane,ethylsulfanyl benzene,sulfide, ethyl phenyl,1-thiapropyl benzene
IUPAC Name (ethylsulfanyl)benzene
InChI Key AEHWKBXBXYNPCX-UHFFFAOYSA-N
Molecular Formula C8H10S
6,230

5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide 97.0+%, TCI America™

CAS: 31127-80-7 Molecular Formula: C16H20I3N3O7 Molecular Weight (g/mol): 747.06 MDL Number: MFCD08063354 InChI Key: BHCBLTRDEYPMFZ-UHFFFAOYNA-N Synonym: 5-Acetamido-N,N′C-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide PubChem CID: 11115326 IUPAC Name: N1,N3-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: CC(=O)NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I

PubChem CID 11115326
CAS 31127-80-7
Molecular Weight (g/mol) 747.06
MDL Number MFCD08063354
SMILES CC(=O)NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
Synonym 5-Acetamido-N,N′C-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
IUPAC Name N1,N3-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI Key BHCBLTRDEYPMFZ-UHFFFAOYNA-N
Molecular Formula C16H20I3N3O7
6,231

4-Diethylaminobenzoic Acid 98.0+%, TCI America™

CAS: 5429-28-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD00002538 InChI Key: LNYTUARMNSFFBE-UHFFFAOYSA-N Synonym: 4-diethylamino benzoic acid,benzoic acid, 4-diethylamino,4-n,n-diethylaminobenzoic acid,p-diethylamino benzoic acid,4-diethylaminobenzoicacid,acmc-209lfa,4-diethylamino benzoic,p-diethylaminobenzoic acid,4-diethylamino benzoicacid PubChem CID: 79480 IUPAC Name: 4-(diethylamino)benzoic acid SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)O

PubChem CID 79480
CAS 5429-28-7
Molecular Weight (g/mol) 193.246
MDL Number MFCD00002538
SMILES CCN(CC)C1=CC=C(C=C1)C(=O)O
Synonym 4-diethylamino benzoic acid,benzoic acid, 4-diethylamino,4-n,n-diethylaminobenzoic acid,p-diethylamino benzoic acid,4-diethylaminobenzoicacid,acmc-209lfa,4-diethylamino benzoic,p-diethylaminobenzoic acid,4-diethylamino benzoicacid
IUPAC Name 4-(diethylamino)benzoic acid
InChI Key LNYTUARMNSFFBE-UHFFFAOYSA-N
Molecular Formula C11H15NO2
6,232

Mebendazole 98.0+%, TCI America™

CAS: 31431-39-7 Molecular Formula: C16H13N3O3 Molecular Weight (g/mol): 295.30 MDL Number: MFCD00057872 InChI Key: OPXLLQIJSORQAM-UHFFFAOYSA-N Synonym: mebendazole,vermox,telmin,mebenvet,pantelmin,vermirax,mebenoazole,ovitelmin,bantenol,mebutar PubChem CID: 4030 ChEBI: CHEBI:6704 IUPAC Name: methyl N-(6-benzoyl-1H-1,3-benzodiazol-2-yl)carbamate SMILES: COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CC=C1

PubChem CID 4030
CAS 31431-39-7
Molecular Weight (g/mol) 295.30
ChEBI CHEBI:6704
MDL Number MFCD00057872
SMILES COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CC=C1
Synonym mebendazole,vermox,telmin,mebenvet,pantelmin,vermirax,mebenoazole,ovitelmin,bantenol,mebutar
IUPAC Name methyl N-(6-benzoyl-1H-1,3-benzodiazol-2-yl)carbamate
InChI Key OPXLLQIJSORQAM-UHFFFAOYSA-N
Molecular Formula C16H13N3O3
6,233

Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Ngamma-trityl-L-asparagine 98.0+%, TCI America™

CAS: 132388-59-1 Molecular Formula: C38H31N2O5 Molecular Weight (g/mol): 595.68 MDL Number: MFCD00077049 InChI Key: KJYAFJQCGPUXJY-UMSFTDKQSA-M Synonym: fmoc-asn trt-oh,nalpha-fmoc-ngamma-trityl-l-asparagine,ambotzfaa1015,n-fmoc-n4-trityl-l-asparagine,pubchem9947,s-2-9h-fluoren-9-yl methoxy carbonyl amino-4-oxo-4-tritylamino butanoic acid,fmoc-n'-trityl-l-asparagine,nalpha-9h-fluoren-9-ylmethoxy carbonyl-ngamma-trityl-l-asparagine,n-9-fluorenyl methoxy carbonyl-n-trityl-l-asparagine PubChem CID: 640248 IUPAC Name: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(triphenylmethyl)carbamoyl]propanoate SMILES: [O-]C(=O)[C@H](CC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

PubChem CID 640248
CAS 132388-59-1
Molecular Weight (g/mol) 595.68
MDL Number MFCD00077049
SMILES [O-]C(=O)[C@H](CC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym fmoc-asn trt-oh,nalpha-fmoc-ngamma-trityl-l-asparagine,ambotzfaa1015,n-fmoc-n4-trityl-l-asparagine,pubchem9947,s-2-9h-fluoren-9-yl methoxy carbonyl amino-4-oxo-4-tritylamino butanoic acid,fmoc-n'-trityl-l-asparagine,nalpha-9h-fluoren-9-ylmethoxy carbonyl-ngamma-trityl-l-asparagine,n-9-fluorenyl methoxy carbonyl-n-trityl-l-asparagine
IUPAC Name (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(triphenylmethyl)carbamoyl]propanoate
InChI Key KJYAFJQCGPUXJY-UMSFTDKQSA-M
Molecular Formula C38H31N2O5
6,234

(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl Chloride, TCI America™

CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 3080792
CAS 39637-99-5
Molecular Weight (g/mol) 252.62
MDL Number MFCD00044400
SMILES CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride
IUPAC Name (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key PAORVUMOXXAMPL-VIFPVBQESA-N
Molecular Formula C10H8ClF3O2
6,235

4-Nitrobenzenesulfonic Acid Hydrate 98.0+%, TCI America™

CAS: 138-42-1 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.17 MDL Number: MFCD09037353 InChI Key: SPXOTSHWBDUUMT-UHFFFAOYSA-N Synonym: 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi PubChem CID: 8740 IUPAC Name: 4-nitrobenzene-1-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 8740
CAS 138-42-1
Molecular Weight (g/mol) 203.17
MDL Number MFCD09037353
SMILES OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi
IUPAC Name 4-nitrobenzene-1-sulfonic acid
InChI Key SPXOTSHWBDUUMT-UHFFFAOYSA-N
Molecular Formula C6H5NO5S
6,236

Dodecylbenzenesulfonic Acid (soft type) (mixture) 95.0+%, TCI America™

CAS: 68584-22-5 Molecular Formula: C18H30O3S Molecular Weight (g/mol): 326.495 MDL Number: MFCD00066677 InChI Key: QJRVOJKLQNSNDB-UHFFFAOYSA-N Synonym: p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid PubChem CID: 29249 IUPAC Name: 4-dodecan-3-ylbenzenesulfonic acid SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O

PubChem CID 29249
CAS 68584-22-5
Molecular Weight (g/mol) 326.495
MDL Number MFCD00066677
SMILES CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
Synonym p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid
IUPAC Name 4-dodecan-3-ylbenzenesulfonic acid
InChI Key QJRVOJKLQNSNDB-UHFFFAOYSA-N
Molecular Formula C18H30O3S
6,237

Tebuconazole 98.0+%, TCI America™

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYNA-N Synonym: tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 PubChem CID: 86102 ChEBI: CHEBI:83779 IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1

PubChem CID 86102
CAS 107534-96-3
Molecular Weight (g/mol) 307.82
ChEBI CHEBI:83779
MDL Number MFCD02674797
SMILES CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
Synonym tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8
IUPAC Name 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
InChI Key PXMNMQRDXWABCY-UHFFFAOYNA-N
Molecular Formula C16H22ClN3O
6,238

trans-Anethole 98.0+%, TCI America™

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.205
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O
6,239

Ethyl 4-Aminobenzoate 99.0+%, TCI America™

CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1

PubChem CID 2337
CAS 94-09-7
Molecular Weight (g/mol) 165.19
ChEBI CHEBI:116735
MDL Number MFCD00007892
SMILES CCOC(=O)C1=CC=C(N)C=C1
Synonym benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin
IUPAC Name ethyl 4-aminobenzoate
InChI Key BLFLLBZGZJTVJG-UHFFFAOYSA-N
Molecular Formula C9H11NO2
6,240

Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1

PubChem CID 20161
CAS 4191-73-5
Molecular Weight (g/mol) 180.20
MDL Number MFCD00016468
SMILES CC(C)OC(=O)C1=CC=C(O)C=C1
Synonym isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester
IUPAC Name propan-2-yl 4-hydroxybenzoate
InChI Key CMHMMKSPYOOVGI-UHFFFAOYSA-N
Molecular Formula C10H12O3