CAS RN: 94109-19-0
CAS Name: 6-(2-hydroxyethoxy)-6-oxohexanoic acid
OPENEYE Name: 6-(2-hydroxyethoxy)-6-oxo-hexanoic acid
IUPAC Name: 6-(2-hydroxyethoxy)-6-oxohexanoic acid
SYSTEMATIC NAME: 6-(2-hydroxyethyloxy)-6-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C8H14O5
MOLECULAR WEIGHT: 190.19376
SMILES: C(CCC(=O)OCCO)CC(=O)O
Structure:
CAS RN: 22532-62-3
CAS Name: 4-bromo-2-hydroxybenzaldehyde
OPENEYE Name: 4-bromo-2-hydroxy-benzaldehyde
IUPAC Name: 4-bromo-2-hydroxybenzaldehyde
SYSTEMATIC NAME: 4-bromanyl-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H5BrO2
MOLECULAR WEIGHT: 201.0174
SMILES: C1=CC(=C(C=C1Br)O)C=O
Structure:
CAS RN: 7756-00-5
CAS Name: N-(4-acetamido-2,3-dinitrophenyl)acetamide
OPENEYE Name: N-(4-acetamido-2,3-dinitro-phenyl)acetamide
IUPAC Name: N-(4-acetamido-2,3-dinitrophenyl)acetamide
SYSTEMATIC NAME: N-(4-acetamido-2,3-dinitro-phenyl)ethanamide
MOLECULAR FORMULA: C10H10N4O6
MOLECULAR WEIGHT: 282.2096
SMILES: CC(=O)NC1=C(C(=C(C=C1)NC(=O)C)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 17556-19-3
CAS Name: 7-chloro-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 7-chlorotetralin-2-one
IUPAC Name: 7-chloro-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 7-chloranyl-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C10H9ClO
MOLECULAR WEIGHT: 180.63086
SMILES: C1CC2=C(CC1=O)C=C(C=C2)Cl
Structure:
CAS RN: 3061-91-4
CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N
Structure:
CAS RN: 112055-35-3
CAS Name: 1-(3-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
IUPAC Name: ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C13H10ClF3N2O2
MOLECULAR WEIGHT: 318.67891
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C(F)(F)F
Structure:
CAS RN: 1062-96-0
CAS Name: hexanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexanoate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexanoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexanoate
MOLECULAR FORMULA: C33H56O2
MOLECULAR WEIGHT: 484.79654
SMILES: CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Structure:
CAS RN: 2832-45-3
CAS Name: 1-hexanesulfonate
OPENEYE Name: hexane-1-sulfonate
IUPAC Name: hexane-1-sulfonate
SYSTEMATIC NAME: hexane-1-sulfonate
MOLECULAR FORMULA: C6H13O3S-
MOLECULAR WEIGHT: 165.23062
SMILES: CCCCCCS(=O)(=O)[O-]
Structure:
CAS RN: 41266-71-1
CAS Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetate
OPENEYE Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
IUPAC Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
SYSTEMATIC NAME: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C9H9N4O2S-
MOLECULAR WEIGHT: 237.25836
SMILES: CC1=CC(=NC2=NN=C(N12)SCC(=O)[O-])C
Structure:
CAS RN: 137915-13-0
CAS Name: 2-amino-3-[[(3-phenylpropylamino)-sulfanylidenemethyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
IUPAC Name: 2-amino-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
MOLECULAR FORMULA: C13H18N2O2S2
MOLECULAR WEIGHT: 298.42422
SMILES: C1=CC=C(C=C1)CCCNC(=S)SCC(C(=O)O)N
Structure:
CAS RN: 5015-38-3
CAS Name: 2-cyanoethyl phosphate
OPENEYE Name: 2-cyanoethyl phosphate
IUPAC Name: 2-cyanoethyl phosphate
SYSTEMATIC NAME: 2-cyanoethyl phosphate
MOLECULAR FORMULA: C3H4NO4P-2
MOLECULAR WEIGHT: 149.041921
SMILES: C(COP(=O)([O-])[O-])C#N
Structure:
CAS RN: 66949-29-9
CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoate
OPENEYE Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate
IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate
MOLECULAR FORMULA: C13H7ClNO4S-
MOLECULAR WEIGHT: 308.71698
SMILES: C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl
Structure:
CAS RN: 12232-99-4
CAS Name: sodium oxido(dioxo)bismuth
OPENEYE Name: sodium oxido(dioxo)bismuth
IUPAC Name: sodium oxido(dioxo)bismuth
SYSTEMATIC NAME: sodium oxidanidyl-bis(oxidanylidene)bismuth
MOLECULAR FORMULA: BiNaO3
MOLECULAR WEIGHT: 279.96835
SMILES: [O-][Bi](=O)=O.[Na+]
Structure:
CAS RN: 14663-53-7
CAS Name: 2-(4-oxo-3-quinazolinyl)acetate
OPENEYE Name: 2-(4-oxoquinazolin-3-yl)acetate
IUPAC Name: 2-(4-oxoquinazolin-3-yl)acetate
SYSTEMATIC NAME: 2-(4-oxidanylidenequinazolin-3-yl)ethanoate
MOLECULAR FORMULA: C10H7N2O3-
MOLECULAR WEIGHT: 203.17418
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)[O-]
Structure:
CAS RN: 14844-73-6
CAS Name: 2,3-dimethyl-1H-indole-5-carboxylate
OPENEYE Name: 2,3-dimethyl-1H-indole-5-carboxylate
IUPAC Name: 2,3-dimethyl-1H-indole-5-carboxylate
SYSTEMATIC NAME: 2,3-dimethyl-1H-indole-5-carboxylate
MOLECULAR FORMULA: C11H10NO2-
MOLECULAR WEIGHT: 188.2026
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)[O-])C
Structure:
CAS RN: 4815-32-1
CAS Name: 2-amino-5-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C8H11NO2S
MOLECULAR WEIGHT: 185.24344
SMILES: CCOC(=O)C1=C(SC(=C1)C)N
Structure:
CAS RN: 1622-58-8
CAS Name: 3-ethyl-1H-benzimidazol-3-ium-2-amine
OPENEYE Name: 3-ethyl-1H-benzimidazol-3-ium-2-amine
IUPAC Name: 3-ethyl-1H-benzimidazol-3-ium-2-amine
SYSTEMATIC NAME: 3-ethyl-1H-benzimidazol-3-ium-2-amine
MOLECULAR FORMULA: C9H12N3+
MOLECULAR WEIGHT: 162.21168
SMILES: CC[N+]1=C(NC2=CC=CC=C21)N
Structure:
CAS RN: 1116-57-0
CAS Name: 2-[carboxymethyl-[2-(carboxymethylthio)ethyl]amino]acetic acid
OPENEYE Name: 2-[carboxymethyl-[2-(carboxymethylsulfanyl)ethyl]amino]acetic acid
IUPAC Name: 2-[carboxymethyl-[2-(carboxymethylsulfanyl)ethyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-hydroxy-2-oxoethyl-[2-(2-hydroxy-2-oxoethylsulfanyl)ethyl]amino]ethanoic acid
MOLECULAR FORMULA: C8H13NO6S
MOLECULAR WEIGHT: 251.25692
SMILES: C(CSCC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 182808-28-2
CAS Name: 4-cyano-1-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-cyanopiperidine-1-carboxylate
IUPAC Name: ethyl 4-cyanopiperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-cyanopiperidine-1-carboxylate
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: CCOC(=O)N1CCC(CC1)C#N
Structure:
CAS RN: 5437-49-0
CAS Name: N6,N6-dimethyl-7H-purine-2,6-diamine
OPENEYE Name: N6,N6-dimethyl-7H-purine-2,6-diamine
IUPAC Name: 6-N,6-N-dimethyl-7H-purine-2,6-diamine
SYSTEMATIC NAME: N6,N6-dimethyl-7H-purine-2,6-diamine
MOLECULAR FORMULA: C7H10N6
MOLECULAR WEIGHT: 178.1945
SMILES: CN(C)C1=NC(=NC2=C1NC=N2)N
Structure:
CAS RN: 132095-53-5
CAS Name: 5-bromo-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 5-bromotetralin-2-one
IUPAC Name: 5-bromo-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 5-bromanyl-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C10H9BrO
MOLECULAR WEIGHT: 225.08186
SMILES: C1CC2=C(CC1=O)C=CC=C2Br
Structure:
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