CAS RN: 5188-53-4
CAS Name: 1,1,3-triethoxypentane
OPENEYE Name: 1,1,3-triethoxypentane
IUPAC Name: 1,1,3-triethoxypentane
SYSTEMATIC NAME: 1,1,3-triethoxypentane
MOLECULAR FORMULA: C11H24O3
MOLECULAR WEIGHT: 204.30646
SMILES: CCC(CC(OCC)OCC)OCC
Structure:
CAS RN: 40677-44-9
CAS Name: 6-amino-2,4-dichloro-3-methylphenol
OPENEYE Name: 6-amino-2,4-dichloro-3-methyl-phenol
IUPAC Name: 6-amino-2,4-dichloro-3-methylphenol
SYSTEMATIC NAME: 6-azanyl-2,4-bis(chloranyl)-3-methyl-phenol
MOLECULAR FORMULA: C7H7Cl2NO
MOLECULAR WEIGHT: 192.04258
SMILES: CC1=C(C=C(C(=C1Cl)O)N)Cl
Structure:
CAS RN: 39549-31-0
CAS Name: 6-amino-2,4-dichloro-3-methylphenol hydrochloride
OPENEYE Name: 6-amino-2,4-dichloro-3-methyl-phenol hydrochloride
IUPAC Name: 6-amino-2,4-dichloro-3-methylphenol hydrochloride
SYSTEMATIC NAME: 6-azanyl-2,4-bis(chloranyl)-3-methyl-phenol hydrochloride
MOLECULAR FORMULA: C7H8Cl3NO
MOLECULAR WEIGHT: 228.50352
SMILES: CC1=C(C=C(C(=C1Cl)O)N)Cl.Cl
Structure:
CAS RN: 39520-24-6
CAS Name: 2-(2-methylpropyl)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-isobutylpropanedioate
IUPAC Name: dimethyl 2-(2-methylpropyl)propanedioate
SYSTEMATIC NAME: dimethyl 2-(2-methylpropyl)propanedioate
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CC(C)CC(C(=O)OC)C(=O)OC
Structure:
CAS RN: 39508-27-5
CAS Name: (4-fluoro-3-nitrophenyl)-trimethylammonium iodide
OPENEYE Name: (4-fluoro-3-nitro-phenyl)-trimethyl-ammonium iodide
IUPAC Name: (4-fluoro-3-nitrophenyl)-trimethylazanium iodide
SYSTEMATIC NAME: (4-fluoranyl-3-nitro-phenyl)-trimethyl-azanium iodide
MOLECULAR FORMULA: C9H12FIN2O2
MOLECULAR WEIGHT: 326.106653
SMILES: C[N+](C)(C)C1=CC(=C(C=C1)F)[N+](=O)[O-].[I-]
Structure:
CAS RN: 34423-94-4
CAS Name: aluminum chloride phosphate
OPENEYE Name: aluminum chloride phosphate
IUPAC Name: aluminum chloride phosphate
SYSTEMATIC NAME: aluminum chloride phosphate
MOLECULAR FORMULA: AlClO4P-
MOLECULAR WEIGHT: 157.405899
SMILES: [O-]P(=O)([O-])[O-].[Al+3].[Cl-]
Structure:
CAS RN: 68514-82-9
CAS Name: 2-butoxyethanol; phosphoric acid
OPENEYE Name: 2-butoxyethanol; phosphoric acid
IUPAC Name: 2-butoxyethanol; phosphoric acid
SYSTEMATIC NAME: 2-butoxyethanol; phosphoric acid
MOLECULAR FORMULA: C6H17O6P
MOLECULAR WEIGHT: 216.169341
SMILES: CCCCOCCO.OP(=O)(O)O
Structure:
CAS RN: 63467-97-0
CAS Name: acetic acid [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; [(8S,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C38H48O5
MOLECULAR WEIGHT: 584.78472
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 39450-18-5
CAS Name: acetic acid [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; [(8S,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C38H48O5
MOLECULAR WEIGHT: 584.78472
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 112666-65-6
CAS Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: ethylene glycol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C17H28N2O4
MOLECULAR WEIGHT: 324.41522
SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CO)O
Structure:
CAS RN: 340735-59-3
CAS Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: ethylene glycol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C17H28N2O4
MOLECULAR WEIGHT: 324.41522
SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CO)O
Structure:
CAS RN: 39444-87-6
CAS Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: ethylene glycol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C17H28N2O4
MOLECULAR WEIGHT: 324.41522
SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CO)O
Structure:
CAS RN: 65899-82-3
CAS Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
OPENEYE Name: ethylene glycol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC Name: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C17H28N2O4
MOLECULAR WEIGHT: 324.41522
SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CO)O
Structure:
CAS RN: 39434-94-1
CAS Name: boric acid; ethane-1,2-diol
OPENEYE Name: boric acid; ethylene glycol
IUPAC Name: boric acid; ethane-1,2-diol
SYSTEMATIC NAME: boric acid; ethane-1,2-diol
MOLECULAR FORMULA: C2H9BO5
MOLECULAR WEIGHT: 123.90086
SMILES: B(O)(O)O.C(CO)O
Structure:
CAS RN: 67989-27-9
CAS Name: boric acid; ethane-1,2-diol
OPENEYE Name: boric acid; ethylene glycol
IUPAC Name: boric acid; ethane-1,2-diol
SYSTEMATIC NAME: boric acid; ethane-1,2-diol
MOLECULAR FORMULA: C2H9BO5
MOLECULAR WEIGHT: 123.90086
SMILES: B(O)(O)O.C(CO)O
Structure:
CAS RN: 39380-74-0
CAS Name: nickel(2+) carbonate hydroxide tetrahydrate
OPENEYE Name: nickelous carbonate hydroxide tetrahydrate
IUPAC Name: nickel(2+) carbonate hydroxide tetrahydrate
SYSTEMATIC NAME: nickel(2+) carbonate hydroxide tetrahydrate
MOLECULAR FORMULA: CH9NiO8-
MOLECULAR WEIGHT: 207.77076
SMILES: C(=O)([O-])[O-].O.O.O.O.[OH-].[Ni+2]
Structure:
CAS RN: 39389-20-3
CAS Name: 1,2-bis(ethenyl)benzene; 2-ethenylbenzenesulfonic acid
OPENEYE Name: 1,2-divinylbenzene; 2-vinylbenzenesulfonic acid
IUPAC Name: 1,2-bis(ethenyl)benzene; 2-ethenylbenzenesulfonic acid
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 2-ethenylbenzenesulfonic acid
MOLECULAR FORMULA: C18H18O3S
MOLECULAR WEIGHT: 314.39872
SMILES: C=CC1=CC=CC=C1C=C.C=CC1=CC=CC=C1S(=O)(=O)O
Structure:
CAS RN: 162680-67-3
CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
OPENEYE Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
MOLECULAR FORMULA: C17H36O6
MOLECULAR WEIGHT: 336.46414
SMILES: CCCCCCCCCCCC(=O)O.C(C(CO)(CO)CO)O
Structure:
CAS RN: 163750-05-8
CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
OPENEYE Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid
MOLECULAR FORMULA: C17H36O6
MOLECULAR WEIGHT: 336.46414
SMILES: CCCCCCCCCCCC(=O)O.C(C(CO)(CO)CO)O
Structure:
CAS RN: 39373-60-9
CAS Name: magnesium; sodium; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione; 2,2,2-trichloroethane-1,1-diol; sulfate
OPENEYE Name: magnesium; sodium; 5-ethyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione; 2,2,2-trichloroethane-1,1-diol; sulfate
IUPAC Name: magnesium; sodium; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione; 2,2,2-trichloroethane-1,1-diol; sulfate
SYSTEMATIC NAME: magnesium; sodium; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione; 2,2,2-tris(chloranyl)ethane-1,1-diol; sulfate
MOLECULAR FORMULA: C13H21Cl3MgN2NaO9S+
MOLECULAR WEIGHT: 535.03261
SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.C(C(Cl)(Cl)Cl)(O)O.[O-]S(=O)(=O)[O-].[Na+].[Mg+2]
Structure:
CAS RN: 110608-38-3
CAS Name: 2-propenoic acid; 2-propenoic acid 2-hydroxypropyl ester
OPENEYE Name: acrylic acid; 2-hydroxypropyl prop-2-enoate
IUPAC Name: 2-hydroxypropyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-oxidanylpropyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(COC(=O)C=C)O.C=CC(=O)O
Structure:
CAS RN: 116948-51-7
CAS Name: 2-propenoic acid; 2-propenoic acid 2-hydroxypropyl ester
OPENEYE Name: acrylic acid; 2-hydroxypropyl prop-2-enoate
IUPAC Name: 2-hydroxypropyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-oxidanylpropyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(COC(=O)C=C)O.C=CC(=O)O
Structure:
CAS RN: 457899-97-7
CAS Name: 2-propenoic acid; 2-propenoic acid 2-hydroxypropyl ester
OPENEYE Name: acrylic acid; 2-hydroxypropyl prop-2-enoate
IUPAC Name: 2-hydroxypropyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-oxidanylpropyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(COC(=O)C=C)O.C=CC(=O)O
Structure:
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