CAS RN: 7477-93-2
CAS Name: 3-arsorosobenzoic acid
OPENEYE Name: 3-arsorosobenzoic acid
IUPAC Name: 3-arsorosobenzoic acid
SYSTEMATIC NAME: 3-arsorosobenzoic acid
MOLECULAR FORMULA: C7H5AsO3
MOLECULAR WEIGHT: 212.0344
SMILES: C1=CC(=CC(=C1)[As]=O)C(=O)O
Structure:
CAS RN: 1821-14-3
CAS Name: 2-hydroxy-3-[(2-hydroxy-7-methoxy-4-oxo-1-benzopyran-3-yl)methyl]-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-[(2-hydroxy-7-methoxy-4-oxo-chromen-3-yl)methyl]-7-methoxy-chromen-4-one
IUPAC Name: 2-hydroxy-3-[(2-hydroxy-7-methoxy-4-oxochromen-3-yl)methyl]-7-methoxychromen-4-one
SYSTEMATIC NAME: 7-methoxy-3-[(7-methoxy-2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H16O8
MOLECULAR WEIGHT: 396.34694
SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)O)CC3=C(OC4=C(C3=O)C=CC(=C4)OC)O
Structure:
CAS RN: 40777-32-0
CAS Name: N-[2-methyl-5-[[octadecoxy(oxo)methyl]amino]phenyl]carbamic acid octadecyl ester
OPENEYE Name: octadecyl N-[2-methyl-5-(octadecoxycarbonylamino)phenyl]carbamate
IUPAC Name: octadecyl N-[2-methyl-5-(octadecoxycarbonylamino)phenyl]carbamate
SYSTEMATIC NAME: octadecyl N-[2-methyl-5-(octadecoxycarbonylamino)phenyl]carbamate
MOLECULAR FORMULA: C45H82N2O4
MOLECULAR WEIGHT: 715.14358
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCCCCCCCCCCCCCCCCC
Structure:
CAS RN: 3847-48-1
CAS Name: N-(1,2-diphenylethyl)-N',N'-diethylethane-1,2-diamine
OPENEYE Name: N-(1,2-diphenylethyl)-N',N'-diethyl-ethane-1,2-diamine
IUPAC Name: N-(1,2-diphenylethyl)-N',N'-diethylethane-1,2-diamine
SYSTEMATIC NAME: N-(1,2-diphenylethyl)-N',N'-diethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C20H28N2
MOLECULAR WEIGHT: 296.44972
SMILES: CCN(CC)CCNC(CC1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 7477-85-2
CAS Name: 4a-ethyl-5,6-dimethoxy-1,2,4,9,10,10a-hexahydrophenanthren-3-one
OPENEYE Name: 4a-ethyl-5,6-dimethoxy-1,2,4,9,10,10a-hexahydrophenanthren-3-one
IUPAC Name: 4a-ethyl-5,6-dimethoxy-1,2,4,9,10,10a-hexahydrophenanthren-3-one
SYSTEMATIC NAME: 4a-ethyl-5,6-dimethoxy-1,2,4,9,10,10a-hexahydrophenanthren-3-one
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: CCC12CC(=O)CCC1CCC3=C2C(=C(C=C3)OC)OC
Structure:
CAS RN: 7477-82-9
CAS Name: N-[3-[[butan-2-yloxy(oxo)methyl]amino]-4-methylphenyl]carbamic acid butan-2-yl ester
OPENEYE Name: sec-butyl N-[2-methyl-5-(sec-butoxycarbonylamino)phenyl]carbamate
IUPAC Name: butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methylphenyl]carbamate
SYSTEMATIC NAME: butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methyl-phenyl]carbamate
MOLECULAR FORMULA: C17H26N2O4
MOLECULAR WEIGHT: 322.39934
SMILES: CCC(C)OC(=O)NC1=CC(=C(C=C1)C)NC(=O)OC(C)CC
Structure:
CAS RN: 7477-81-8
CAS Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-nitrophenyl)ethanone
OPENEYE Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-nitrophenyl)ethanone
IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-nitrophenyl)ethanone
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: C1CC2=CC=CC=C2N(C1)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 7477-80-7
CAS Name: 1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
OPENEYE Name: 1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
IUPAC Name: 1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C17H16ClNO
MOLECULAR WEIGHT: 285.76804
SMILES: C1CC2=CC=CC=C2N(C1)CC(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 7477-79-4
CAS Name: 6-(3,4,5-trimethoxyphenyl)-1-cyclohex-3-enecarboxylic acid
OPENEYE Name: 6-(3,4,5-trimethoxyphenyl)cyclohex-3-ene-1-carboxylic acid
IUPAC Name: 6-(3,4,5-trimethoxyphenyl)cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: 6-(3,4,5-trimethoxyphenyl)cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C16H20O5
MOLECULAR WEIGHT: 292.327
SMILES: COC1=CC(=CC(=C1OC)OC)C2CC=CCC2C(=O)O
Structure:
CAS RN: 7477-77-2
CAS Name: 5,5-diphenyl-2-furanone
OPENEYE Name: 5,5-diphenylfuran-2-one
IUPAC Name: 5,5-diphenylfuran-2-one
SYSTEMATIC NAME: 5,5-diphenylfuran-2-one
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1=CC=C(C=C1)C2(C=CC(=O)O2)C3=CC=CC=C3
Structure:
CAS RN: 7495-28-5
CAS Name: 10-hydroxy-5-oxo-2-phenazin-5-iumcarboxylate
OPENEYE Name: 10-hydroxy-5-oxo-phenazin-5-ium-2-carboxylate
IUPAC Name: 10-hydroxy-5-oxophenazin-5-ium-2-carboxylate
SYSTEMATIC NAME: 10-oxidanyl-5-oxidanylidene-phenazin-5-ium-2-carboxylate
MOLECULAR FORMULA: C13H8N2O4
MOLECULAR WEIGHT: 256.21362
SMILES: C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)C(=O)[O-])O
Structure:
CAS RN: 24890-66-2
CAS Name: 7,10-dihydroxy-5-oxido-2-phenazin-5-iumone
OPENEYE Name: 7,10-dihydroxy-5-oxido-phenazin-5-ium-2-one
IUPAC Name: 7,10-dihydroxy-5-oxidophenazin-5-ium-2-one
SYSTEMATIC NAME: 5-oxidanidyl-7,10-bis(oxidanyl)phenazin-5-ium-2-one
MOLECULAR FORMULA: C12H8N2O4
MOLECULAR WEIGHT: 244.20292
SMILES: C1=CC2=C(C=C1O)[N+](=C3C=CC(=O)C=C3N2O)[O-]
Structure:
CAS RN: 18274-53-8
CAS Name: 7-chloro-10-hydroxy-5-oxido-2-phenazin-5-iumone
OPENEYE Name: 7-chloro-10-hydroxy-5-oxido-phenazin-5-ium-2-one
IUPAC Name: 7-chloro-10-hydroxy-5-oxidophenazin-5-ium-2-one
SYSTEMATIC NAME: 7-chloranyl-5-oxidanidyl-10-oxidanyl-phenazin-5-ium-2-one
MOLECULAR FORMULA: C12H7ClN2O3
MOLECULAR WEIGHT: 262.64858
SMILES: C1=CC2=C(C=C1Cl)[N+](=C3C=CC(=O)C=C3N2O)[O-]
Structure:
CAS RN: 7470-48-6
CAS Name: 7-chloro-5-oxido-10H-phenazin-5-ium-2-one
OPENEYE Name: 7-chloro-5-oxido-10H-phenazin-5-ium-2-one
IUPAC Name: 7-chloro-5-oxido-10H-phenazin-5-ium-2-one
SYSTEMATIC NAME: 7-chloranyl-5-oxidanidyl-10H-phenazin-5-ium-2-one
MOLECULAR FORMULA: C12H7ClN2O2
MOLECULAR WEIGHT: 246.64918
SMILES: C1=CC2=C(C=C1Cl)[N+](=C3C=CC(=O)C=C3N2)[O-]
Structure:
CAS RN: 7506-06-1
CAS Name: 7-bromo-5-oxido-10H-phenazin-5-ium-2-one
OPENEYE Name: 7-bromo-5-oxido-10H-phenazin-5-ium-2-one
IUPAC Name: 7-bromo-5-oxido-10H-phenazin-5-ium-2-one
SYSTEMATIC NAME: 7-bromanyl-5-oxidanidyl-10H-phenazin-5-ium-2-one
MOLECULAR FORMULA: C12H7BrN2O2
MOLECULAR WEIGHT: 291.10018
SMILES: C1=CC2=C(C=C1Br)[N+](=C3C=CC(=O)C=C3N2)[O-]
Structure:
CAS RN: 7470-47-5
CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid propyl ester
OPENEYE Name: propyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate
IUPAC Name: propyl 2,4-dimethyl-6-oxopyran-3-carboxylate
SYSTEMATIC NAME: propyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CCCOC(=O)C1=C(OC(=O)C=C1C)C
Structure:
CAS RN: 7470-45-3
CAS Name: 3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione
OPENEYE Name: 3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione
IUPAC Name: 3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione
SYSTEMATIC NAME: 3,7,7-trimethylcyclohepta-3,5-diene-1,2-dione
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC=CC(C(=O)C1=O)(C)C
Structure:
CAS RN: 7470-42-0
CAS Name: 5-acetyl-6-hydroxy-4-methyl-2-pyranone
OPENEYE Name: 5-acetyl-6-hydroxy-4-methyl-pyran-2-one
IUPAC Name: 5-acetyl-6-hydroxy-4-methylpyran-2-one
SYSTEMATIC NAME: 5-ethanoyl-4-methyl-6-oxidanyl-pyran-2-one
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: CC1=CC(=O)OC(=C1C(=O)C)O
Structure:
CAS RN: 6132-37-2
CAS Name: 5-bromo-2-furancarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-bromofuran-2-carboxylate
IUPAC Name: ethyl 5-bromofuran-2-carboxylate
SYSTEMATIC NAME: ethyl 5-bromanylfuran-2-carboxylate
MOLECULAR FORMULA: C7H7BrO3
MOLECULAR WEIGHT: 219.03268
SMILES: CCOC(=O)C1=CC=C(O1)Br
Structure:
CAS RN: 7470-38-4
CAS Name: 4-(4-morpholinyl)benzoic acid
OPENEYE Name: 4-morpholinobenzoic acid
IUPAC Name: 4-morpholin-4-ylbenzoic acid
SYSTEMATIC NAME: 4-morpholin-4-ylbenzoic acid
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 7470-37-3
CAS Name: 3-(2-chlorophenyl)imino-1-isobenzofuranone
OPENEYE Name: 3-(2-chlorophenyl)iminoisobenzofuran-1-one
IUPAC Name: 3-(2-chlorophenyl)imino-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(2-chlorophenyl)imino-2-benzofuran-1-one
MOLECULAR FORMULA: C14H8ClNO2
MOLECULAR WEIGHT: 257.67182
SMILES: C1=CC=C2C(=C1)C(=NC3=CC=CC=C3Cl)OC2=O
Structure:
CAS RN: 7470-34-0
CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone
OPENEYE Name: 5-(1,3-benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one
IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
MOLECULAR FORMULA: C21H22O7
MOLECULAR WEIGHT: 386.39518
SMILES: COC1=CC(=CC(=C1OC)OC)CC2CC(OC2=O)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 7468-88-4
CAS Name: 4-hydroxy-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
OPENEYE Name: 4-hydroxy-3-(hydroxymethyl)-6,7-dimethoxy-tetralin-2-carboxylic acid
IUPAC Name: 4-hydroxy-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 3-(hydroxymethyl)-6,7-dimethoxy-4-oxidanyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C14H18O6
MOLECULAR WEIGHT: 282.28912
SMILES: COC1=C(C=C2C(C(C(CC2=C1)C(=O)O)CO)O)OC
Structure:
CAS RN: 7466-80-0
CAS Name: 6,7-dimethoxy-3,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-1,4-dione
OPENEYE Name: 6,7-dimethoxy-3,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-1,4-dione
IUPAC Name: 6,7-dimethoxy-3,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-1,4-dione
SYSTEMATIC NAME: 6,7-dimethoxy-3,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-1,4-dione
MOLECULAR FORMULA: C14H14O5
MOLECULAR WEIGHT: 262.25796
SMILES: COC1=C(C=C2C(=C1)CC3C(C2=O)COC3=O)OC
Structure:
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