CAS RN: 3031-98-9
CAS Name: 3,4,5,6-tetrahydroxy-2-oxohexanoic acid methyl ester
OPENEYE Name: methyl 3,4,5,6-tetrahydroxy-2-oxo-hexanoate
IUPAC Name: methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
SYSTEMATIC NAME: methyl 3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate
MOLECULAR FORMULA: C7H12O7
MOLECULAR WEIGHT: 208.16598
SMILES: COC(=O)C(=O)C(C(C(CO)O)O)O
Structure:
CAS RN: 4559-60-8
CAS Name: 11-methylphenanthro[9,10-b]quinoxaline
OPENEYE Name: 11-methylphenanthro[9,10-b]quinoxaline
IUPAC Name: 11-methylphenanthro[9,10-b]quinoxaline
SYSTEMATIC NAME: 11-methylphenanthro[9,10-b]quinoxaline
MOLECULAR FORMULA: C21H14N2
MOLECULAR WEIGHT: 294.34926
SMILES: CC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2
Structure:
CAS RN: 13973-23-4
CAS Name: N-(1-hydroxybutan-2-yl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-[1-(hydroxymethyl)propyl]carbamate
IUPAC Name: ethyl N-(1-hydroxybutan-2-yl)carbamate
SYSTEMATIC NAME: ethyl N-(1-oxidanylbutan-2-yl)carbamate
MOLECULAR FORMULA: C7H15NO3
MOLECULAR WEIGHT: 161.1989
SMILES: CCC(CO)NC(=O)OCC
Structure:
CAS RN: 63718-58-1
CAS Name: 3-ethyl-2-hexenoic acid
OPENEYE Name: 3-ethylhex-2-enoic acid
IUPAC Name: 3-ethylhex-2-enoic acid
SYSTEMATIC NAME: 3-ethylhex-2-enoic acid
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCCC(=CC(=O)O)CC
Structure:
CAS RN: 6731-01-7
CAS Name: N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline
OPENEYE Name: N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitro-aniline
IUPAC Name: N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitro-aniline
MOLECULAR FORMULA: C18H11N5O9
MOLECULAR WEIGHT: 441.30804
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6761-86-0
CAS Name: (5,6-dimethyl-1H-benzimidazol-2-yl)methanol
OPENEYE Name: (5,6-dimethyl-1H-benzimidazol-2-yl)methanol
IUPAC Name: (5,6-dimethyl-1H-benzimidazol-2-yl)methanol
SYSTEMATIC NAME: (5,6-dimethyl-1H-benzimidazol-2-yl)methanol
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC1=CC2=C(C=C1C)N=C(N2)CO
Structure:
CAS RN: 71172-52-6
CAS Name: 11,15-dimethyl-7-hexadecanone
OPENEYE Name: 11,15-dimethylhexadecan-7-one
IUPAC Name: 11,15-dimethylhexadecan-7-one
SYSTEMATIC NAME: 11,15-dimethylhexadecan-7-one
MOLECULAR FORMULA: C18H36O
MOLECULAR WEIGHT: 268.47784
SMILES: CCCCCCC(=O)CCCC(C)CCCC(C)C
Structure:
CAS RN: 73691-01-7
CAS Name: 2-(3-hydroxypropyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(3-hydroxypropyl)propanedioate
IUPAC Name: diethyl 2-(3-hydroxypropyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(3-oxidanylpropyl)propanedioate
MOLECULAR FORMULA: C10H18O5
MOLECULAR WEIGHT: 218.24692
SMILES: CCOC(=O)C(CCCO)C(=O)OCC
Structure:
CAS RN: 69177-72-6
CAS Name: 2-[(2-amino-2-methylpropoxy)-oxomethyl]benzoic acid
OPENEYE Name: 2-(2-amino-2-methyl-propoxy)carbonylbenzoic acid
IUPAC Name: 2-(2-amino-2-methylpropoxy)carbonylbenzoic acid
SYSTEMATIC NAME: 2-(2-azanyl-2-methyl-propoxy)carbonylbenzoic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC(C)(COC(=O)C1=CC=CC=C1C(=O)O)N
Structure:
CAS RN: 15943-43-8
CAS Name: N-tert-butyl-2,2-dichloroacetamide
OPENEYE Name: N-tert-butyl-2,2-dichloro-acetamide
IUPAC Name: N-tert-butyl-2,2-dichloroacetamide
SYSTEMATIC NAME: N-tert-butyl-2,2-bis(chloranyl)ethanamide
MOLECULAR FORMULA: C6H11Cl2NO
MOLECULAR WEIGHT: 184.06364
SMILES: CC(C)(C)NC(=O)C(Cl)Cl
Structure:
CAS RN: 24070-31-3
CAS Name: 2-anilino-2-methyl-1-propanol
OPENEYE Name: 2-anilino-2-methyl-propan-1-ol
IUPAC Name: 2-anilino-2-methylpropan-1-ol
SYSTEMATIC NAME: 2-methyl-2-phenylazanyl-propan-1-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC(C)(CO)NC1=CC=CC=C1
Structure:
CAS RN: 18226-20-5
CAS Name: 2-methyl-2-(4-nitroanilino)-1-propanol
OPENEYE Name: 2-methyl-2-(4-nitroanilino)propan-1-ol
IUPAC Name: 2-methyl-2-(4-nitroanilino)propan-1-ol
SYSTEMATIC NAME: 2-methyl-2-[(4-nitrophenyl)amino]propan-1-ol
MOLECULAR FORMULA: C10H14N2O3
MOLECULAR WEIGHT: 210.22976
SMILES: CC(C)(CO)NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 42449-39-8
CAS Name: 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-oxazolo[3,2-c][1,3]oxazin-7-one
OPENEYE Name: 8,8-dichloro-5-(dichloromethylene)-3,3-dimethyl-8a-phenyl-2H-oxazolo[3,2-c][1,3]oxazin-7-one
IUPAC Name: 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
SYSTEMATIC NAME: 5-[bis(chloranyl)methylidene]-8,8-bis(chloranyl)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
MOLECULAR FORMULA: C15H13Cl4NO3
MOLECULAR WEIGHT: 397.08062
SMILES: CC1(COC2(N1C(=C(Cl)Cl)OC(=O)C2(Cl)Cl)C3=CC=CC=C3)C
Structure:
CAS RN: 42449-41-2
CAS Name: 2,2-dichloro-2-[3-(2,2-dichloro-1-oxoethyl)-4,4-dimethyl-2-phenyl-2-oxazolidinyl]acetic acid methyl ester
OPENEYE Name: methyl 2,2-dichloro-2-[3-(2,2-dichloroacetyl)-4,4-dimethyl-2-phenyl-oxazolidin-2-yl]acetate
IUPAC Name: methyl 2,2-dichloro-2-[3-(2,2-dichloroacetyl)-4,4-dimethyl-2-phenyl-1,3-oxazolidin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[3-[2,2-bis(chloranyl)ethanoyl]-4,4-dimethyl-2-phenyl-1,3-oxazolidin-2-yl]-2,2-bis(chloranyl)ethanoate
MOLECULAR FORMULA: C16H17Cl4NO4
MOLECULAR WEIGHT: 429.12248
SMILES: CC1(COC(N1C(=O)C(Cl)Cl)(C2=CC=CC=C2)C(C(=O)OC)(Cl)Cl)C
Structure:
CAS RN: 56679-00-6
CAS Name: 1-benzoyl-5,5-dimethyl-2-(phenylmethyl)-3-pyrazolidinone
OPENEYE Name: 1-benzoyl-2-benzyl-5,5-dimethyl-pyrazolidin-3-one
IUPAC Name: 1-benzoyl-2-benzyl-5,5-dimethylpyrazolidin-3-one
SYSTEMATIC NAME: 5,5-dimethyl-1-(phenylcarbonyl)-2-(phenylmethyl)pyrazolidin-3-one
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CC1(CC(=O)N(N1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C
Structure:
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