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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 (66,311)
Phenols (12,688)
Naphthalenes (5,028)
Fluorenes (1,243)
Unsubstituted Phenols (1,180)
Thiophenols (622)
Phenol esters (546)
Anthracenes (403)
Tetralins (326)
Phenanthrenes and derivatives (304)
Indanes (298)
Triphenyl compounds (285)
Pyrenes (216)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Pentacenequinones (16)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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Keyword Search:
6,781 – 6,795 of 76,258 results
6,781

Bisoprolol Hemifumarate 98.0+%, TCI America™
SDP

CAS: 104344-23-2 Molecular Formula: C40H66N2O12 Molecular Weight (g/mol): 766.97 MDL Number: MFCD00792743,MFCD00792743,MFCD00792743,MFCD00865795 InChI Key: VMDFASMUILANOL-WXXKFALUNA-N Synonym: bisoprolol fumarate,1-4-2-isopropoxyethoxy methyl phenoxy-3-isopropylamino propan-2-ol fumarate,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy-2-propanol,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy propan-2-ol PubChem CID: 53394791 IUPAC Name: (2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol) SMILES: OC(=O)\C=C\C(O)=O.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1

PubChem CID 53394791
CAS 104344-23-2
Molecular Weight (g/mol) 766.97
MDL Number MFCD00792743,MFCD00792743,MFCD00792743,MFCD00865795
SMILES OC(=O)\C=C\C(O)=O.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
Synonym bisoprolol fumarate,1-4-2-isopropoxyethoxy methyl phenoxy-3-isopropylamino propan-2-ol fumarate,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy-2-propanol,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy propan-2-ol
IUPAC Name (2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol)
InChI Key VMDFASMUILANOL-WXXKFALUNA-N
Molecular Formula C40H66N2O12
6,782

1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole 98.0+%, TCI America™
SDP

CAS: 50257-40-4 Molecular Formula: C18H26N2O2S Molecular Weight (g/mol): 334.478 MDL Number: MFCD00005283 InChI Key: AGGRGODMKWLSDE-UHFFFAOYSA-N Synonym: 1-2,4,6-triisopropylphenyl sulfonyl-1h-imidazole,1-2,4,6-triisopropylbenzenesulfonyl imidazole,1-2,4,6-triisopropylphenylsulfonyl imidazole,tpsi,1-2',4',6'-triisopropylbenzenesulphonyl imidazole,1-2,4,6-tri propan-2-yl phenyl sulfonylimidazole,tpsi 1-2,4,6-triisopropylbenzenesulfonyl imidazole,1h-imidazole, 1-2,4,6-tris 1-methylethyl phenyl sulfonyl,1-2,4,6-trisopropylbenzenesulfonyl imidazole PubChem CID: 521274 IUPAC Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C

PubChem CID 521274
CAS 50257-40-4
Molecular Weight (g/mol) 334.478
MDL Number MFCD00005283
SMILES CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C
Synonym 1-2,4,6-triisopropylphenyl sulfonyl-1h-imidazole,1-2,4,6-triisopropylbenzenesulfonyl imidazole,1-2,4,6-triisopropylphenylsulfonyl imidazole,tpsi,1-2',4',6'-triisopropylbenzenesulphonyl imidazole,1-2,4,6-tri propan-2-yl phenyl sulfonylimidazole,tpsi 1-2,4,6-triisopropylbenzenesulfonyl imidazole,1h-imidazole, 1-2,4,6-tris 1-methylethyl phenyl sulfonyl,1-2,4,6-trisopropylbenzenesulfonyl imidazole
IUPAC Name 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
InChI Key AGGRGODMKWLSDE-UHFFFAOYSA-N
Molecular Formula C18H26N2O2S
6,783

2-Chloro-4-(dimethylamino)benzaldehyde 98.0+%, TCI America™
SDP

CAS: 1424-66-4 Molecular Formula: C9H10ClNO Molecular Weight (g/mol): 183.64 MDL Number: MFCD00021051 InChI Key: XSQFAWMDRFSIMY-UHFFFAOYSA-N PubChem CID: 74021 IUPAC Name: 2-chloro-4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C(Cl)=C1

PubChem CID 74021
CAS 1424-66-4
Molecular Weight (g/mol) 183.64
MDL Number MFCD00021051
SMILES CN(C)C1=CC=C(C=O)C(Cl)=C1
IUPAC Name 2-chloro-4-(dimethylamino)benzaldehyde
InChI Key XSQFAWMDRFSIMY-UHFFFAOYSA-N
Molecular Formula C9H10ClNO
6,784

Trimethobenzamide Hydrochloride 98.0+%, TCI America™
SDP

CAS: 554-92-7 Molecular Formula: C21H29ClN2O5 Molecular Weight (g/mol): 424.922 MDL Number: MFCD00057999 InChI Key: WIIZEEPFHXAUND-UHFFFAOYSA-N Synonym: N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4,5-trimethoxybenzamide Hydrochloride PubChem CID: 68385 IUPAC Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

PubChem CID 68385
CAS 554-92-7
Molecular Weight (g/mol) 424.922
MDL Number MFCD00057999
SMILES CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl
Synonym N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4,5-trimethoxybenzamide Hydrochloride
IUPAC Name N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
InChI Key WIIZEEPFHXAUND-UHFFFAOYSA-N
Molecular Formula C21H29ClN2O5
6,785

3-Fluorocatechol 98.0+%, TCI America™
SDP

CAS: 363-52-0 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.10 MDL Number: MFCD00042582 InChI Key: DXOSJQLIRGXWCF-UHFFFAOYSA-N Synonym: 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 PubChem CID: 67764 ChEBI: CHEBI:39876 IUPAC Name: 3-fluorobenzene-1,2-diol SMILES: OC1=CC=CC(F)=C1O

PubChem CID 67764
CAS 363-52-0
Molecular Weight (g/mol) 128.10
ChEBI CHEBI:39876
MDL Number MFCD00042582
SMILES OC1=CC=CC(F)=C1O
Synonym 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142
IUPAC Name 3-fluorobenzene-1,2-diol
InChI Key DXOSJQLIRGXWCF-UHFFFAOYSA-N
Molecular Formula C6H5FO2
6,786

4-tert-Butylphenyl Acetate 97.0+%, TCI America™
SDP

CAS: 3056-64-2 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00026308 InChI Key: FSALNWWFUMHOAU-UHFFFAOYSA-N Synonym: Acetic Acid 4-tert-Butylphenyl Ester PubChem CID: 76463 IUPAC Name: (4-tert-butylphenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)(C)C

PubChem CID 76463
CAS 3056-64-2
Molecular Weight (g/mol) 192.258
MDL Number MFCD00026308
SMILES CC(=O)OC1=CC=C(C=C1)C(C)(C)C
Synonym Acetic Acid 4-tert-Butylphenyl Ester
IUPAC Name (4-tert-butylphenyl) acetate
InChI Key FSALNWWFUMHOAU-UHFFFAOYSA-N
Molecular Formula C12H16O2
6,787

2,3,4,5,6-Pentamethylbenzyl Chloride 98.0+%, TCI America™
SDP

CAS: 484-65-1 Molecular Formula: C12H17Cl Molecular Weight (g/mol): 196.718 MDL Number: MFCD00000900 InChI Key: CXUAEBDTJFKMBV-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentamethylbenzyl chloride,pentamethylbenzyl chloride,benzene, chloromethyl pentamethyl,chloromethyl pentamethylbenzene,1-chloromethyl-2,3,4,5,6-pentamethylbenzene,benzene, 1-chloromethyl-2,3,4,5,6-pentamethyl,acmc-209kd7,cxuaebdtjfkmbv-uhfffaoysa,2,3,4,6-pentamethylbenzyl chloride,2,4,5,6-pentamethylbenzyl chloride PubChem CID: 68087 IUPAC Name: 1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene SMILES: CC1=C(C(=C(C(=C1C)C)CCl)C)C

PubChem CID 68087
CAS 484-65-1
Molecular Weight (g/mol) 196.718
MDL Number MFCD00000900
SMILES CC1=C(C(=C(C(=C1C)C)CCl)C)C
Synonym 2,3,4,5,6-pentamethylbenzyl chloride,pentamethylbenzyl chloride,benzene, chloromethyl pentamethyl,chloromethyl pentamethylbenzene,1-chloromethyl-2,3,4,5,6-pentamethylbenzene,benzene, 1-chloromethyl-2,3,4,5,6-pentamethyl,acmc-209kd7,cxuaebdtjfkmbv-uhfffaoysa,2,3,4,6-pentamethylbenzyl chloride,2,4,5,6-pentamethylbenzyl chloride
IUPAC Name 1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene
InChI Key CXUAEBDTJFKMBV-UHFFFAOYSA-N
Molecular Formula C12H17Cl
6,788

1-Aminoindan 98.0+%, TCI America™
SDP

CAS: 34698-41-4 Molecular Formula: C9H12N Molecular Weight (g/mol): 134.20 MDL Number: MFCD00003799 InChI Key: XJEVHMGJSYVQBQ-VIFPVBQESA-O Synonym: 1-aminoindan,1-aminoindane,1-indanamine,indan-1-ylamine,indanamin,aminoindan,indanylamine,indan-1-amine,1h-inden-1-amine, 2,3-dihydro,2,3-dihydro-1h-inden-1-ylamine PubChem CID: 123445 IUPAC Name: (1S)-2,3-dihydro-1H-inden-1-aminium SMILES: [NH3+][C@H]1CCC2=CC=CC=C12

PubChem CID 123445
CAS 34698-41-4
Molecular Weight (g/mol) 134.20
MDL Number MFCD00003799
SMILES [NH3+][C@H]1CCC2=CC=CC=C12
Synonym 1-aminoindan,1-aminoindane,1-indanamine,indan-1-ylamine,indanamin,aminoindan,indanylamine,indan-1-amine,1h-inden-1-amine, 2,3-dihydro,2,3-dihydro-1h-inden-1-ylamine
IUPAC Name (1S)-2,3-dihydro-1H-inden-1-aminium
InChI Key XJEVHMGJSYVQBQ-VIFPVBQESA-O
Molecular Formula C9H12N
6,789

3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone 95.0+%, TCI America™
SDP

CAS: 89-29-2 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.28 MDL Number: MFCD00035707 InChI Key: ASVVGQURNHNITH-UHFFFAOYSA-N PubChem CID: 66634 IUPAC Name: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide SMILES: CC1=NN(C(=O)C1)C1=CC=CC(=C1)S(N)(=O)=O

PubChem CID 66634
CAS 89-29-2
Molecular Weight (g/mol) 253.28
MDL Number MFCD00035707
SMILES CC1=NN(C(=O)C1)C1=CC=CC(=C1)S(N)(=O)=O
IUPAC Name 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
InChI Key ASVVGQURNHNITH-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
6,790

3-Fluorophenylacetic Acid 98.0+%, TCI America™
SDP

CAS: 331-25-9 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004331 InChI Key: YEAUYVGUXSZCFI-UHFFFAOYSA-N Synonym: 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid PubChem CID: 67617 IUPAC Name: 2-(3-fluorophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(F)=C1

PubChem CID 67617
CAS 331-25-9
Molecular Weight (g/mol) 154.14
MDL Number MFCD00004331
SMILES OC(=O)CC1=CC=CC(F)=C1
Synonym 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid
IUPAC Name 2-(3-fluorophenyl)acetic acid
InChI Key YEAUYVGUXSZCFI-UHFFFAOYSA-N
Molecular Formula C8H7FO2
6,791

(5-Carboxypentyl)triphenylphosphonium Bromide 96.0+%, TCI America™
SDP

CAS: 50889-29-7 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00055556 InChI Key: JUWYRPZTZSWLCY-UHFFFAOYSA-N Synonym: 5-carboxypentyl triphenylphosphonium bromide,5-carboxypentyl triphenyl phosphonium bromide,5-carboxypentyl triphenylphosphanium bromide,5-carboxypentyltriphenylphosphonium bromide,phosphonium, 5-carboxypentyl triphenyl-, bromide,acmc-20apmi,pxjvnuuwrjumaq-uhfffaoysa-m,5-carboxyamyl triphenylphosphonium bromide PubChem CID: 2779280 IUPAC Name: (5-carboxypentyl)triphenylphosphanium bromide SMILES: [Br-].OC(=O)CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2779280
CAS 50889-29-7
Molecular Weight (g/mol) 457.35
MDL Number MFCD00055556
SMILES [Br-].OC(=O)CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 5-carboxypentyl triphenylphosphonium bromide,5-carboxypentyl triphenyl phosphonium bromide,5-carboxypentyl triphenylphosphanium bromide,5-carboxypentyltriphenylphosphonium bromide,phosphonium, 5-carboxypentyl triphenyl-, bromide,acmc-20apmi,pxjvnuuwrjumaq-uhfffaoysa-m,5-carboxyamyl triphenylphosphonium bromide
IUPAC Name (5-carboxypentyl)triphenylphosphanium bromide
InChI Key JUWYRPZTZSWLCY-UHFFFAOYSA-N
Molecular Formula C24H26BrO2P
6,792

2,3-Dimethoxybenzylamine 98.0+%, TCI America™
SDP

CAS: 4393-09-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 MDL Number: MFCD00052392 InChI Key: LVMPWFJVYMXSNY-UHFFFAOYSA-N Synonym: 2,3-dimethoxybenzylamine,2,3-dimethoxyphenyl methanamine,1-2,3-dimethoxyphenyl methanamine,benzenemethanamine, 2,3-dimethoxy,2,3-dimethoxy-benzylamine,2,3-dimethoxy benzylamine,pubchem7399,2,3-dimethoxybenzyl amine,acmc-2097fc PubChem CID: 78106 IUPAC Name: (2,3-dimethoxyphenyl)methanamine SMILES: COC1=CC=CC(=C1OC)CN

PubChem CID 78106
CAS 4393-09-3
Molecular Weight (g/mol) 167.21
MDL Number MFCD00052392
SMILES COC1=CC=CC(=C1OC)CN
Synonym 2,3-dimethoxybenzylamine,2,3-dimethoxyphenyl methanamine,1-2,3-dimethoxyphenyl methanamine,benzenemethanamine, 2,3-dimethoxy,2,3-dimethoxy-benzylamine,2,3-dimethoxy benzylamine,pubchem7399,2,3-dimethoxybenzyl amine,acmc-2097fc
IUPAC Name (2,3-dimethoxyphenyl)methanamine
InChI Key LVMPWFJVYMXSNY-UHFFFAOYSA-N
Molecular Formula C9H13NO2
6,793

Dimethyl 2,3-Naphthalenedicarboxylate 97.0+%, TCI America™
SDP

CAS: 13728-34-2 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD00012278 InChI Key: MPDGBCOIHNLQMR-UHFFFAOYSA-N Synonym: 2,3-Naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 688113 IUPAC Name: dimethyl naphthalene-2,3-dicarboxylate SMILES: COC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC

PubChem CID 688113
CAS 13728-34-2
Molecular Weight (g/mol) 244.246
MDL Number MFCD00012278
SMILES COC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC
Synonym 2,3-Naphthalenedicarboxylic Acid Dimethyl Ester
IUPAC Name dimethyl naphthalene-2,3-dicarboxylate
InChI Key MPDGBCOIHNLQMR-UHFFFAOYSA-N
Molecular Formula C14H12O4
6,794

5-Methylpyrogallol 98.0+%, TCI America™
SDP

CAS: 609-25-6 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00017501 InChI Key: NYUABOGYMWADSF-UHFFFAOYSA-N Synonym: 3,4,5-Trihydroxytoluene PubChem CID: 587790 IUPAC Name: 5-methylbenzene-1,2,3-triol SMILES: CC1=CC(O)=C(O)C(O)=C1

PubChem CID 587790
CAS 609-25-6
Molecular Weight (g/mol) 140.14
MDL Number MFCD00017501
SMILES CC1=CC(O)=C(O)C(O)=C1
Synonym 3,4,5-Trihydroxytoluene
IUPAC Name 5-methylbenzene-1,2,3-triol
InChI Key NYUABOGYMWADSF-UHFFFAOYSA-N
Molecular Formula C7H8O3
6,795

2,2'-Methylenebis(6-tert-butyl-p-cresol) 99.0+%, TCI America™
SDP

CAS: 119-47-1 Molecular Formula: C23H32O2 Molecular Weight (g/mol): 340.51 MDL Number: MFCD00043641 InChI Key: KGRVJHAUYBGFFP-UHFFFAOYSA-N PubChem CID: 8398 IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C

PubChem CID 8398
CAS 119-47-1
Molecular Weight (g/mol) 340.51
MDL Number MFCD00043641
SMILES CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C
IUPAC Name 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
InChI Key KGRVJHAUYBGFFP-UHFFFAOYSA-N
Molecular Formula C23H32O2