CAS RN: 71501-12-7
CAS Name: 2,6-di(butan-2-yl)-1-cyclohexanone
OPENEYE Name: 2,6-disec-butylcyclohexanone
IUPAC Name: 2,6-di(butan-2-yl)cyclohexan-1-one
SYSTEMATIC NAME: 2,6-di(butan-2-yl)cyclohexan-1-one
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: CCC(C)C1CCCC(C1=O)C(C)CC
Structure:
CAS RN: 71501-11-6
CAS Name: 1,4-bis(4-bromophenyl)-1-butanone
OPENEYE Name: 1,4-bis(4-bromophenyl)butan-1-one
IUPAC Name: 1,4-bis(4-bromophenyl)butan-1-one
SYSTEMATIC NAME: 1,4-bis(4-bromophenyl)butan-1-one
MOLECULAR FORMULA: C16H14Br2O
MOLECULAR WEIGHT: 382.08976
SMILES: C1=CC(=CC=C1CCCC(=O)C2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 71486-54-9
CAS Name: 2-carbamothioyl-1-pyrrolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-carbamothioylpyrrole-1-carboxylate
IUPAC Name: ethyl 2-carbamothioylpyrrole-1-carboxylate
SYSTEMATIC NAME: ethyl 2-carbamothioylpyrrole-1-carboxylate
MOLECULAR FORMULA: C8H10N2O2S
MOLECULAR WEIGHT: 198.2422
SMILES: CCOC(=O)N1C=CC=C1C(=S)N
Structure:
CAS RN: 71477-81-1
CAS Name:
OPENEYE Name: sodium norbornan-4-ide
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H11Na
MOLECULAR WEIGHT: 118.15201
SMILES: C1C[C-]2CCC1C2.[Na+]
Structure:
CAS RN: 71477-20-8
CAS Name: pyridine-2,3-diamine dihydrochloride
OPENEYE Name: pyridine-2,3-diamine dihydrochloride
IUPAC Name: pyridine-2,3-diamine dihydrochloride
SYSTEMATIC NAME: pyridine-2,3-diamine dihydrochloride
MOLECULAR FORMULA: C5H9Cl2N3
MOLECULAR WEIGHT: 182.05106
SMILES: C1=CC(=C(N=C1)N)N.Cl.Cl
Structure:
CAS RN: 71477-17-3
CAS Name: decoxymethanediol
OPENEYE Name: decoxymethanediol
IUPAC Name: decoxymethanediol
SYSTEMATIC NAME: decoxymethanediol
MOLECULAR FORMULA: C11H24O3
MOLECULAR WEIGHT: 204.30646
SMILES: CCCCCCCCCCOC(O)O
Structure:
CAS RN: 71463-59-7
CAS Name: pentanoic acid (2,6-dichlorophenyl) ester
OPENEYE Name: (2,6-dichlorophenyl) pentanoate
IUPAC Name: (2,6-dichlorophenyl) pentanoate
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl] pentanoate
MOLECULAR FORMULA: C11H12Cl2O2
MOLECULAR WEIGHT: 247.11778
SMILES: CCCCC(=O)OC1=C(C=CC=C1Cl)Cl
Structure:
CAS RN: 71463-58-6
CAS Name: 1-(2,6-dichlorophenyl)-3-methylurea
OPENEYE Name: 1-(2,6-dichlorophenyl)-3-methyl-urea
IUPAC Name: 1-(2,6-dichlorophenyl)-3-methylurea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-methyl-urea
MOLECULAR FORMULA: C8H8Cl2N2O
MOLECULAR WEIGHT: 219.06792
SMILES: CNC(=O)NC1=C(C=CC=C1Cl)Cl
Structure:
CAS RN: 71463-57-5
CAS Name: 1-(2,6-dichlorophenyl)-3-propan-2-ylurea
OPENEYE Name: 1-(2,6-dichlorophenyl)-3-isopropyl-urea
IUPAC Name: 1-(2,6-dichlorophenyl)-3-propan-2-ylurea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-propan-2-yl-urea
MOLECULAR FORMULA: C10H12Cl2N2O
MOLECULAR WEIGHT: 247.12108
SMILES: CC(C)NC(=O)NC1=C(C=CC=C1Cl)Cl
Structure:
CAS RN: 71463-56-4
CAS Name: 1-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]urea
OPENEYE Name: 1-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]urea
IUPAC Name: 1-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]urea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-[3-(dimethylamino)propyl]urea
MOLECULAR FORMULA: C12H17Cl2N3O
MOLECULAR WEIGHT: 290.18888
SMILES: CN(C)CCCNC(=O)NC1=C(C=CC=C1Cl)Cl
Structure:
CAS RN: 71463-54-2
CAS Name: 1,4-bis(4-chlorophenyl)-1-butanone
OPENEYE Name: 1,4-bis(4-chlorophenyl)butan-1-one
IUPAC Name: 1,4-bis(4-chlorophenyl)butan-1-one
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)butan-1-one
MOLECULAR FORMULA: C16H14Cl2O
MOLECULAR WEIGHT: 293.18776
SMILES: C1=CC(=CC=C1CCCC(=O)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 71463-53-1
CAS Name: 9-amino-1,3-dichloro-8-methyl-10H-phenazin-2-one
OPENEYE Name: 9-amino-1,3-dichloro-8-methyl-10H-phenazin-2-one
IUPAC Name: 9-amino-1,3-dichloro-8-methyl-10H-phenazin-2-one
SYSTEMATIC NAME: 9-azanyl-1,3-bis(chloranyl)-8-methyl-10H-phenazin-2-one
MOLECULAR FORMULA: C13H9Cl2N3O
MOLECULAR WEIGHT: 294.13606
SMILES: CC1=C(C2=C(C=C1)N=C3C=C(C(=O)C(=C3N2)Cl)Cl)N
Structure:
CAS RN: 71463-51-9
CAS Name: 3,6-dichlorocyclohexane-1,2-dione
OPENEYE Name: 3,6-dichlorocyclohexane-1,2-dione
IUPAC Name: 3,6-dichlorocyclohexane-1,2-dione
SYSTEMATIC NAME: 3,6-bis(chloranyl)cyclohexane-1,2-dione
MOLECULAR FORMULA: C6H6Cl2O2
MOLECULAR WEIGHT: 181.01664
SMILES: C1CC(C(=O)C(=O)C1Cl)Cl
Structure:
CAS RN: 71463-50-8
CAS Name: 3-(2,6-dichlorophenyl)-3-oxopropanenitrile
OPENEYE Name: 3-(2,6-dichlorophenyl)-3-oxo-propanenitrile
IUPAC Name: 3-(2,6-dichlorophenyl)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-[2,6-bis(chloranyl)phenyl]-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C9H5Cl2NO
MOLECULAR WEIGHT: 214.0481
SMILES: C1=CC(=C(C(=C1)Cl)C(=O)CC#N)Cl
Structure:
CAS RN: 71463-41-7
CAS Name: N-(2-hydroxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
OPENEYE Name: N-(2-hydroxyphenyl)-N-(p-tolylsulfonyl)acetamide
IUPAC Name: N-(2-hydroxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
SYSTEMATIC NAME: N-(2-hydroxyphenyl)-N-(4-methylphenyl)sulfonyl-ethanamide
MOLECULAR FORMULA: C15H15NO4S
MOLECULAR WEIGHT: 305.3489
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2O)C(=O)C
Structure:
CAS RN: 71463-40-6
CAS Name: N-(5-hydroxy-2-methylphenyl)acetamide
OPENEYE Name: N-(5-hydroxy-2-methyl-phenyl)acetamide
IUPAC Name: N-(5-hydroxy-2-methylphenyl)acetamide
SYSTEMATIC NAME: N-(2-methyl-5-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=C(C=C(C=C1)O)NC(=O)C
Structure:
CAS RN: 71463-37-1
CAS Name: N-(4-chloro-2,5-diethoxyphenyl)-3-oxobutanamide
OPENEYE Name: N-(4-chloro-2,5-diethoxy-phenyl)-3-oxo-butanamide
IUPAC Name: N-(4-chloro-2,5-diethoxyphenyl)-3-oxobutanamide
SYSTEMATIC NAME: N-(4-chloranyl-2,5-diethoxy-phenyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C14H18ClNO4
MOLECULAR WEIGHT: 299.75002
SMILES: CCOC1=CC(=C(C=C1NC(=O)CC(=O)C)OCC)Cl
Structure:
CAS RN: 71436-96-9
CAS Name: 3,5,5-trimethylhexanoic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 3,5,5-trimethylhexanoate
IUPAC Name: 2-methylpropyl 3,5,5-trimethylhexanoate
SYSTEMATIC NAME: 2-methylpropyl 3,5,5-trimethylhexanoate
MOLECULAR FORMULA: C13H26O2
MOLECULAR WEIGHT: 214.34434
SMILES: CC(C)COC(=O)CC(C)CC(C)(C)C
Structure:
CAS RN: 71436-94-7
CAS Name: 1-[(4-aminophenyl)-oxomethyl]-5-hydroxynaphthalene-2,7-disulfonic acid
OPENEYE Name: 1-(4-aminobenzoyl)-5-hydroxy-naphthalene-2,7-disulfonic acid
IUPAC Name: 1-(4-aminobenzoyl)-5-hydroxynaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 1-(4-aminophenyl)carbonyl-5-oxidanyl-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C17H13NO8S2
MOLECULAR WEIGHT: 423.41702
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)O)O)S(=O)(=O)O)N
Structure:
CAS RN: 71436-93-6
CAS Name: 2-[(4-aminophenyl)-oxomethyl]-5-hydroxynaphthalene-1,7-disulfonic acid
OPENEYE Name: 2-(4-aminobenzoyl)-5-hydroxy-naphthalene-1,7-disulfonic acid
IUPAC Name: 2-(4-aminobenzoyl)-5-hydroxynaphthalene-1,7-disulfonic acid
SYSTEMATIC NAME: 2-(4-aminophenyl)carbonyl-5-oxidanyl-naphthalene-1,7-disulfonic acid
MOLECULAR FORMULA: C17H13NO8S2
MOLECULAR WEIGHT: 423.41702
SMILES: C1=CC(=CC=C1C(=O)C2=C(C3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 71436-89-0
CAS Name: butyl-tris(2-hydroxyethyl)ammonium hydroxide
OPENEYE Name: butyl-tris(2-hydroxyethyl)ammonium hydroxide
IUPAC Name: butyl-tris(2-hydroxyethyl)azanium hydroxide
SYSTEMATIC NAME: butyl-tris(2-hydroxyethyl)azanium hydroxide
MOLECULAR FORMULA: C10H25NO4
MOLECULAR WEIGHT: 223.3098
SMILES: CCCC[N+](CCO)(CCO)CCO.[OH-]
Structure:
CAS RN: 71436-88-9
CAS Name: N-butyl-2-methylbenzenesulfonamide
OPENEYE Name: N-butyl-2-methyl-benzenesulfonamide
IUPAC Name: N-butyl-2-methylbenzenesulfonamide
SYSTEMATIC NAME: N-butyl-2-methyl-benzenesulfonamide
MOLECULAR FORMULA: C11H17NO2S
MOLECULAR WEIGHT: 227.32318
SMILES: CCCCNS(=O)(=O)C1=CC=CC=C1C
Structure:
CAS RN: 71436-87-8
CAS Name: 2-(butylthio)dodecanoic acid
OPENEYE Name: 2-butylsulfanyldodecanoic acid
IUPAC Name: 2-butylsulfanyldodecanoic acid
SYSTEMATIC NAME: 2-butylsulfanyldodecanoic acid
MOLECULAR FORMULA: C16H32O2S
MOLECULAR WEIGHT: 288.48908
SMILES: CCCCCCCCCCC(C(=O)O)SCCCC
Structure:
CAS RN: 71436-86-7
CAS Name: 2-tert-butyl-4-methyl-1-cyclohexanone
OPENEYE Name: 2-tert-butyl-4-methyl-cyclohexanone
IUPAC Name: 2-tert-butyl-4-methylcyclohexan-1-one
SYSTEMATIC NAME: 2-tert-butyl-4-methyl-cyclohexan-1-one
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC1CCC(=O)C(C1)C(C)(C)C
Structure:
CAS RN: 71436-85-6
CAS Name: 2-hydroxy-2-methylbutanoic acid butyl ester
OPENEYE Name: butyl 2-hydroxy-2-methyl-butanoate
IUPAC Name: butyl 2-hydroxy-2-methylbutanoate
SYSTEMATIC NAME: butyl 2-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CCCCOC(=O)C(C)(CC)O
Structure:
CAS RN: 71432-53-6
CAS Name: 2-(2-propan-2-ylphenoxy)acetonitrile
OPENEYE Name: 2-(2-isopropylphenoxy)acetonitrile
IUPAC Name: 2-(2-propan-2-ylphenoxy)acetonitrile
SYSTEMATIC NAME: 2-(2-propan-2-ylphenoxy)ethanenitrile
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC(C)C1=CC=CC=C1OCC#N
Structure:
CAS RN: 71412-26-5
CAS Name: acetic acid 2,3-dimethylbutyl ester
OPENEYE Name: 2,3-dimethylbutyl acetate
IUPAC Name: 2,3-dimethylbutyl acetate
SYSTEMATIC NAME: 2,3-dimethylbutyl ethanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C)C(C)COC(=O)C
Structure:
CAS RN: 71412-20-9
CAS Name: 7-(3-bromo-2-oxopropyl)-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-(3-bromo-2-oxo-propyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-(3-bromo-2-oxopropyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-(3-bromanyl-2-oxidanylidene-propyl)-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C10H11BrN4O3
MOLECULAR WEIGHT: 315.12334
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)CBr
Structure:
CAS RN: 71412-19-6
CAS Name: N'-[(carbamoylamino)-oxomethyl]oxamide
OPENEYE Name: N'-allophanoyloxamide
IUPAC Name: N'-(carbamoylcarbamoyl)oxamide
SYSTEMATIC NAME: N'-(aminocarbonylcarbamoyl)ethanediamide
MOLECULAR FORMULA: C4H6N4O4
MOLECULAR WEIGHT: 174.11484
SMILES: C(=O)(C(=O)NC(=O)NC(=O)N)N
Structure:
CAS RN: 71411-97-7
CAS Name: 3-(bromomethoxy)phenol
OPENEYE Name: 3-(bromomethoxy)phenol
IUPAC Name: 3-(bromomethoxy)phenol
SYSTEMATIC NAME: 3-(bromomethyloxy)phenol
MOLECULAR FORMULA: C7H7BrO2
MOLECULAR WEIGHT: 203.03328
SMILES: C1=CC(=CC(=C1)OCBr)O
Structure:
CAS RN: 71411-94-4
CAS Name: 8-(diethylamino)-1,3,7-trimethylpurine-2,6-dione
OPENEYE Name: 8-(diethylamino)-1,3,7-trimethyl-purine-2,6-dione
IUPAC Name: 8-(diethylamino)-1,3,7-trimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-(diethylamino)-1,3,7-trimethyl-purine-2,6-dione
MOLECULAR FORMULA: C12H19N5O2
MOLECULAR WEIGHT: 265.31156
SMILES: CCN(CC)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 71411-93-3
CAS Name: 2,6-diethoxybenzonitrile
OPENEYE Name: 2,6-diethoxybenzonitrile
IUPAC Name: 2,6-diethoxybenzonitrile
SYSTEMATIC NAME: 2,6-diethoxybenzenecarbonitrile
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CCOC1=C(C(=CC=C1)OCC)C#N
Structure:
CAS RN: 71411-91-1
CAS Name: 2-amino-N-(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)benzamide
OPENEYE Name: 2-amino-N-(4-amino-3-bromo-9,10-dioxo-1-anthryl)benzamide
IUPAC Name: 2-amino-N-(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide
MOLECULAR FORMULA: C21H14BrN3O3
MOLECULAR WEIGHT: 436.25816
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC(=O)C4=CC=CC=C4N)Br)N
Structure:
CAS RN: 71411-90-0
CAS Name: N4-[(4-aminophenyl)methyl]benzene-1,4-diamine
OPENEYE Name: N4-[(4-aminophenyl)methyl]benzene-1,4-diamine
IUPAC Name: 4-N-[(4-aminophenyl)methyl]benzene-1,4-diamine
SYSTEMATIC NAME: N4-[(4-aminophenyl)methyl]benzene-1,4-diamine
MOLECULAR FORMULA: C13H15N3
MOLECULAR WEIGHT: 213.2783
SMILES: C1=CC(=CC=C1CNC2=CC=C(C=C2)N)N
Structure:
CAS RN: 71411-89-7
CAS Name: 4-amino-N-(4-amino-2,5-diethoxyphenyl)benzamide
OPENEYE Name: 4-amino-N-(4-amino-2,5-diethoxy-phenyl)benzamide
IUPAC Name: 4-amino-N-(4-amino-2,5-diethoxyphenyl)benzamide
SYSTEMATIC NAME: 4-azanyl-N-(4-azanyl-2,5-diethoxy-phenyl)benzamide
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CCOC1=CC(=C(C=C1N)OCC)NC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 71411-88-6
CAS Name: 3-amino-4-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
OPENEYE Name: 3-amino-4-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
IUPAC Name: 3-amino-4-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 3-azanyl-4-(phenylsulfonyloxy)naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C16H13NO9S3
MOLECULAR WEIGHT: 459.47072
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2N)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 71411-75-1
CAS Name: 6-amino-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-amino-5-octyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-amino-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H21N3OS
MOLECULAR WEIGHT: 255.37964
SMILES: CCCCCCCCC1=C(NC(=S)NC1=O)N
Structure:
CAS RN: 71411-71-7
CAS Name: 2-[(4-amino-9,10-dioxo-1-anthracenyl)sulfamoyl]-5-methylbenzenesulfonic acid
OPENEYE Name: 2-[(4-amino-9,10-dioxo-1-anthryl)sulfamoyl]-5-methyl-benzenesulfonic acid
IUPAC Name: 2-[(4-amino-9,10-dioxoanthracen-1-yl)sulfamoyl]-5-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfamoyl]-5-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C21H16N2O7S2
MOLECULAR WEIGHT: 472.49094
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O
Structure:
CAS RN: 71401-58-6
CAS Name: 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
OPENEYE Name: 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
IUPAC Name: 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
SYSTEMATIC NAME: 2-(3-ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid
MOLECULAR FORMULA: C12H12N2O6S
MOLECULAR WEIGHT: 312.29848
SMILES: CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2S(=O)(=O)O
Structure:
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