CAS RN: 6293-77-2
CAS Name: trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]ammonium
OPENEYE Name: [4-(allylamino)-1-methyl-4-oxo-3,3-diphenyl-butyl]-trimethyl-ammonium
IUPAC Name: trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium
SYSTEMATIC NAME: trimethyl-[5-oxidanylidene-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium
MOLECULAR FORMULA: C23H31N2O+
MOLECULAR WEIGHT: 351.50504
SMILES: CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NCC=C)[N+](C)(C)C
Structure:
CAS RN: 2898-02-4
CAS Name: 2-cyclopentylpentanoic acid 2-(2,2-dimethyl-1-pyrrolidinyl)propyl ester
OPENEYE Name: 2-(2,2-dimethylpyrrolidin-1-yl)propyl 2-cyclopentylpentanoate
IUPAC Name: 2-(2,2-dimethylpyrrolidin-1-yl)propyl 2-cyclopentylpentanoate
SYSTEMATIC NAME: 2-(2,2-dimethylpyrrolidin-1-yl)propyl 2-cyclopentylpentanoate
MOLECULAR FORMULA: C19H35NO2
MOLECULAR WEIGHT: 309.4867
SMILES: CCCC(C1CCCC1)C(=O)OCC(C)N2CCCC2(C)C
Structure:
CAS RN: 6287-04-3
CAS Name: 6-chloro-2-methoxy-N-[[4-phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]-9-acridinamine
OPENEYE Name: N-[(1-benzyl-4-phenyl-4-piperidyl)methyl]-6-chloro-2-methoxy-acridin-9-amine
IUPAC Name: N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-6-chloro-2-methoxyacridin-9-amine
SYSTEMATIC NAME: 6-chloranyl-2-methoxy-N-[[4-phenyl-1-(phenylmethyl)piperidin-4-yl]methyl]acridin-9-amine
MOLECULAR FORMULA: C33H32ClN3O
MOLECULAR WEIGHT: 522.07968
SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCC4(CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 6291-64-1
CAS Name: 2,2-diiodoethane-1,1-disulfonic acid
OPENEYE Name: 2,2-diiodoethane-1,1-disulfonic acid
IUPAC Name: 2,2-diiodoethane-1,1-disulfonic acid
SYSTEMATIC NAME: 2,2-bis(iodanyl)ethane-1,1-disulfonic acid
MOLECULAR FORMULA: C2H4I2O6S2
MOLECULAR WEIGHT: 441.9885
SMILES: C(C(I)I)(S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 5421-93-2
CAS Name: [carbamimidoyl(cyano)amino]methanesulfonic acid
OPENEYE Name: [carbamimidoyl(cyano)amino]methanesulfonic acid
IUPAC Name: [carbamimidoyl(cyano)amino]methanesulfonic acid
SYSTEMATIC NAME: [carbamimidoyl(cyano)amino]methanesulfonic acid
MOLECULAR FORMULA: C3H6N4O3S
MOLECULAR WEIGHT: 178.16974
SMILES: C(N(C#N)C(=N)N)S(=O)(=O)O
Structure:
CAS RN: 6291-79-8
CAS Name: 1,2-dicyanoguanidine
OPENEYE Name: 1,2-dicyanoguanidine
IUPAC Name: 1,2-dicyanoguanidine
SYSTEMATIC NAME: 1,2-dicyanoguanidine
MOLECULAR FORMULA: C3H3N5
MOLECULAR WEIGHT: 109.08942
SMILES: C(#N)NC(=NC#N)N
Structure:
CAS RN: 5450-64-6
CAS Name: bis(3-hydroxy-3-methylnon-1-ynyl)mercury
OPENEYE Name: bis(3-hydroxy-3-methyl-non-1-ynyl)mercury
IUPAC Name: bis(3-hydroxy-3-methylnon-1-ynyl)mercury
SYSTEMATIC NAME: bis(3-methyl-3-oxidanyl-non-1-ynyl)mercury
MOLECULAR FORMULA: C20H34HgO2
MOLECULAR WEIGHT: 507.07276
SMILES: CCCCCCC(C)(C#C[Hg]C#CC(C)(CCCCCC)O)O
Structure:
CAS RN: 5460-06-0
CAS Name: 4-acetyl-4-methylheptanedioic acid
OPENEYE Name: 4-acetyl-4-methyl-heptanedioic acid
IUPAC Name: 4-acetyl-4-methylheptanedioic acid
SYSTEMATIC NAME: 4-ethanoyl-4-methyl-heptanedioic acid
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: CC(=O)C(C)(CCC(=O)O)CCC(=O)O
Structure:
CAS RN: 5413-69-4
CAS Name: 3-amino-4-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azonaphthalene-2,7-disulfonic acid
OPENEYE Name: 3-amino-4-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-2,7-disulfonic acid
IUPAC Name: 3-amino-4-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 3-azanyl-4-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C34H28N6O9S3
MOLECULAR WEIGHT: 760.81592
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N
Structure:
CAS RN: 5413-65-0
CAS Name: 1,2,4,5,8-pentahydroxyanthracene-9,10-dione
OPENEYE Name: 1,2,4,5,8-pentahydroxyanthracene-9,10-dione
IUPAC Name: 1,2,4,5,8-pentahydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,2,4,5,8-pentakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H8O7
MOLECULAR WEIGHT: 288.20912
SMILES: C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O)O
Structure:
CAS RN: 17575-21-2
CAS Name: acetic acid [6-[[6-[[6-[[14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-2-methyl-3-[[3,4,5-trihydr
OPENEYE Name: [6-[6-[6-[[14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-3-[3,4,5-
IUPAC Name: [6-[6-[6-[[14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymet
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-14,16-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-3-[6-(hydroxymethyl)-3,4
MOLECULAR FORMULA: C49H76O20
MOLECULAR WEIGHT: 985.11574
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
Structure:
CAS RN: 17575-20-1
CAS Name: acetic acid [6-[[4-hydroxy-6-[[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-[[3,4,5-trihydroxy-6
OPENEYE Name: [6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-3-[3,4,5-trihy
IUPAC Name: [6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)o
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-3-[6-(hydroxymethyl)-3,4,5-tris(
MOLECULAR FORMULA: C49H76O19
MOLECULAR WEIGHT: 969.11634
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
Structure:
CAS RN: 6284-45-3
CAS Name: ethyl-[[3-(ethylmercuriothio)-1,2,4-thiadiazol-5-yl]thio]mercury
OPENEYE Name: ethyl-[[3-(ethylmercuriosulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl]mercury
IUPAC Name: ethyl-[[3-(ethylmercuriosulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl]mercury
SYSTEMATIC NAME: ethyl-[[3-(ethylmercuriosulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl]mercury
MOLECULAR FORMULA: C6H10Hg2N2S3
MOLECULAR WEIGHT: 607.532
SMILES: CC[Hg]SC1=NSC(=N1)S[Hg]CC
Structure:
CAS RN: 5463-12-7
CAS Name: (3-hydroxy-3-methylnon-1-ynyl)mercury
OPENEYE Name: (3-hydroxy-3-methyl-non-1-ynyl)mercury
IUPAC Name: (3-hydroxy-3-methylnon-1-ynyl)mercury
SYSTEMATIC NAME: (3-methyl-3-oxidanyl-non-1-ynyl)mercury
MOLECULAR FORMULA: C10H17HgO
MOLECULAR WEIGHT: 353.83138
SMILES: CCCCCCC(C)(C#C[Hg])O
Structure:
CAS RN: 1611-57-0
CAS Name: 2-isocyanato-2,4,4-trimethylpentane
OPENEYE Name: 2-isocyanato-2,4,4-trimethyl-pentane
IUPAC Name: 2-isocyanato-2,4,4-trimethylpentane
SYSTEMATIC NAME: 2-isocyanato-2,4,4-trimethyl-pentane
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CC(C)(C)CC(C)(C)N=C=O
Structure:
CAS RN: 5413-08-1
CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 2-hydroxy-4,6,6-trimethylheptanoic acid
OPENEYE Name: 2-hydroxyethyl(trimethyl)ammonium; 2-hydroxy-4,6,6-trimethyl-heptanoic acid
IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 2-hydroxy-4,6,6-trimethylheptanoic acid
SYSTEMATIC NAME: 2-hydroxyethyl(trimethyl)azanium; 4,6,6-trimethyl-2-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C15H34NO4+
MOLECULAR WEIGHT: 292.43476
SMILES: CC(CC(C(=O)O)O)CC(C)(C)C.C[N+](C)(C)CCO
Structure:
CAS RN: 39082-01-4
CAS Name: 4-chloro-N-(2-chlorophenyl)-3-oxobutanamide
OPENEYE Name: 4-chloro-N-(2-chlorophenyl)-3-oxo-butanamide
IUPAC Name: 4-chloro-N-(2-chlorophenyl)-3-oxobutanamide
SYSTEMATIC NAME: 4-chloranyl-N-(2-chlorophenyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C10H9Cl2NO2
MOLECULAR WEIGHT: 246.08996
SMILES: C1=CC=C(C(=C1)NC(=O)CC(=O)CCl)Cl
Structure:
CAS RN: 4271-27-6
CAS Name: N,N-diethyl-1-dodecanamine
OPENEYE Name: N,N-diethyldodecan-1-amine
IUPAC Name: N,N-diethyldodecan-1-amine
SYSTEMATIC NAME: N,N-diethyldodecan-1-amine
MOLECULAR FORMULA: C16H35N
MOLECULAR WEIGHT: 241.4558
SMILES: CCCCCCCCCCCCN(CC)CC
Structure:
CAS RN: 4950-81-6
CAS Name: N-(phenylmethyl)-1-decanamine
OPENEYE Name: N-benzyldecan-1-amine
IUPAC Name: N-benzyldecan-1-amine
SYSTEMATIC NAME: N-(phenylmethyl)decan-1-amine
MOLECULAR FORMULA: C17H29N
MOLECULAR WEIGHT: 247.41886
SMILES: CCCCCCCCCCNCC1=CC=CC=C1
Structure:
CAS RN: 6289-81-2
CAS Name: 2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid
OPENEYE Name: 2-hydroxytetralin-2-sulfonic acid
IUPAC Name: 2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 2-oxidanyl-3,4-dihydro-1H-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H12O4S
MOLECULAR WEIGHT: 228.26488
SMILES: C1CC(CC2=CC=CC=C21)(O)S(=O)(=O)O
Structure:
CAS RN: 1985-32-6
CAS Name: phenyl-(2-phenylphenyl)methanone
OPENEYE Name: phenyl-(2-phenylphenyl)methanone
IUPAC Name: phenyl-(2-phenylphenyl)methanone
SYSTEMATIC NAME: phenyl-(2-phenylphenyl)methanone
MOLECULAR FORMULA: C19H14O
MOLECULAR WEIGHT: 258.31386
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=CC=CC=C3
Structure:
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