Product OPENEYE NAME: 3-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3R,5R,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@]12CC[C@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
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Product OPENEYE NAME: 1-[bis(aziridin-1-yl)phosphoryl]aziridine
CAS Name: 1-[bis(1-aziridinyl)phosphoryl]aziridine
IUPAC NAME: 1-[bis(aziridin-1-yl)phosphoryl]aziridine
SYSTEMATIC NAME: 1-[bis(aziridin-1-yl)phosphoryl]aziridine
MOLECULAR FORMULA: C6H12N3OP
MOLECULAR WEIGHT: 173.152741
SMILES: C1CN1P(=O)(N2CC2)N3CC3
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Product OPENEYE NAME: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate; methyl sulfate
CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl)methyl ester; methyl sulfate
IUPAC NAME: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate; methyl sulfate
SYSTEMATIC NAME: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate; methyl sulfate
MOLECULAR FORMULA: C22H29NO7S
MOLECULAR WEIGHT: 451.53316
SMILES: C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]
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Product OPENEYE NAME: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate
CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl)methyl ester
IUPAC NAME: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C21H26NO3+
MOLECULAR WEIGHT: 340.43604
SMILES: C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
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Product OPENEYE NAME: 6-morpholino-4,4-diphenyl-heptan-3-one hydrochloride
CAS Name: 6-(4-morpholinyl)-4,4-diphenyl-3-heptanone hydrochloride
IUPAC NAME: 6-morpholin-4-yl-4,4-diphenylheptan-3-one hydrochloride
SYSTEMATIC NAME: 6-morpholin-4-yl-4,4-diphenyl-heptan-3-one hydrochloride
MOLECULAR FORMULA: C23H30ClNO2
MOLECULAR WEIGHT: 387.9428
SMILES: CCC(=O)C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
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Product OPENEYE NAME: 5-(2-bromoallyl)-5-isopropyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(2-bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(2-bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(2-bromanylprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C10H13BrN2O3
MOLECULAR WEIGHT: 289.12582
SMILES: CC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)Br
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Product OPENEYE NAME: 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,10S,13R,14S)-10-(hydroxymethyl)-13-methyl-3,14-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC=C5[C@@]3(CC[C@@H](C5)O)CO
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Product OPENEYE NAME: (3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,10S,13R,14S)-13-methyl-3,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC=C5[C@@]3(CC[C@@H](C5)O)C=O
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Product OPENEYE NAME: trizinc dicitrate
CAS Name: trizinc 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: trizinc 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: trizinc 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C12H10O14Zn3
MOLECULAR WEIGHT: 574.4264
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Zn+2].[Zn+2].[Zn+2]
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Product OPENEYE NAME: 2-hydroxyethyl(trimethyl)ammonium citrate
CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: 2-hydroxyethyl(trimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: 2-hydroxyethyl(trimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C21H47N3O10
MOLECULAR WEIGHT: 501.61198
SMILES: C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
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Product OPENEYE NAME: plumbous tetraacetate
CAS Name: lead(2+) tetraacetate
IUPAC NAME: lead(2+) tetraacetate
SYSTEMATIC NAME: lead(2+) tetraethanoate
MOLECULAR FORMULA: C8H12O8Pb-2
MOLECULAR WEIGHT: 443.37608
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pb+2]
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Product OPENEYE NAME: propan-2-olate; titanium(4+)
CAS Name: 2-propanolate; titanium(4+)
IUPAC NAME: propan-2-olate; titanium(4+)
SYSTEMATIC NAME: propan-2-olate; titanium(4+)
MOLECULAR FORMULA: C12H28O4Ti
MOLECULAR WEIGHT: 284.21532
SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
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Product OPENEYE NAME: 5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
CAS Name: 2-methyl-5-propan-2-yl-3-bicyclo[3.1.0]hexanone
IUPAC NAME: 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-one
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-bicyclo[3.1.0]hexan-3-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1C2CC2(CC1=O)C(C)C
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Product OPENEYE NAME: magnesium carbonate
CAS Name: magnesium carbonate
IUPAC NAME: magnesium carbonate
SYSTEMATIC NAME: magnesium carbonate
MOLECULAR FORMULA: CMgO3
MOLECULAR WEIGHT: 84.3139
SMILES: C(=O)([O-])[O-].[Mg+2]
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