Product OPENEYE NAME: calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CAS Name: calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
IUPAC NAME: calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SYSTEMATIC NAME: calcium (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C12H22CaO14
MOLECULAR WEIGHT: 430.37268
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2]
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Product OPENEYE NAME: iron; (2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
CAS Name: iron; (2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
IUPAC NAME: iron; (2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
SYSTEMATIC NAME: iron; (2R,3R,4S,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C12H24FeO14
MOLECULAR WEIGHT: 448.15556
SMILES: C([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O.C([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O.[Fe]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H28N2O4S
MOLECULAR WEIGHT: 332.45882
SMILES: C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4.OS(=O)(=O)O
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Product OPENEYE NAME: (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
CAS Name: (1R,2S)-2-(methylamino)-1-phenyl-1-propanol
IUPAC NAME: (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NC
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Product OPENEYE NAME: [3-(diethylamino)-1,2-dimethyl-propyl] 4-isobutoxybenzoate
CAS Name: 4-(2-methylpropoxy)benzoic acid [4-(diethylamino)-3-methylbutan-2-yl] ester
IUPAC NAME: [4-(diethylamino)-3-methylbutan-2-yl] 4-(2-methylpropoxy)benzoate
SYSTEMATIC NAME: [4-(diethylamino)-3-methyl-butan-2-yl] 4-(2-methylpropoxy)benzoate
MOLECULAR FORMULA: C20H33NO3
MOLECULAR WEIGHT: 335.48092
SMILES: CCN(CC)CC(C)C(C)OC(=O)C1=CC=C(C=C1)OCC(C)C
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Product OPENEYE NAME: (2,3-dihydroxy-4-methylsulfonyloxy-butyl) methanesulfonate
CAS Name: methanesulfonic acid (2,3-dihydroxy-4-methylsulfonyloxybutyl) ester
IUPAC NAME: (2,3-dihydroxy-4-methylsulfonyloxybutyl) methanesulfonate
SYSTEMATIC NAME: [4-methylsulfonyloxy-2,3-bis(oxidanyl)butyl] methanesulfonate
MOLECULAR FORMULA: C6H14O8S2
MOLECULAR WEIGHT: 278.30056
SMILES: CS(=O)(=O)OCC(C(COS(=O)(=O)C)O)O
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Product OPENEYE NAME: 2-isopropylpent-4-enamide
CAS Name: 2-propan-2-yl-4-pentenamide
IUPAC NAME: 2-propan-2-ylpent-4-enamide
SYSTEMATIC NAME: 2-propan-2-ylpent-4-enamide
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: CC(C)C(CC=C)C(=O)N
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Product OPENEYE NAME: dimethoxy-thioxo-(2,4,5-trichlorophenoxy)-$l^{5}-phosphane
CAS Name: dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane
IUPAC NAME: dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-sulfanylidene-[2,4,5-tris(chloranyl)phenoxy]-$l^{5}-phosphane
MOLECULAR FORMULA: C8H8Cl3O3PS
MOLECULAR WEIGHT: 321.545081
SMILES: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: N-[(2,4-dichlorophenoxy)-methoxy-phosphinothioyl]propan-2-amine
CAS Name: N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]-2-propanamine
IUPAC NAME: N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
SYSTEMATIC NAME: N-[[2,4-bis(chloranyl)phenoxy]-methoxy-phosphinothioyl]propan-2-amine
MOLECULAR FORMULA: C10H14Cl2NO2PS
MOLECULAR WEIGHT: 314.168421
SMILES: CC(C)NP(=S)(OC)OC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: N-[(4-tert-butyl-2-chloro-phenoxy)-methoxy-phosphoryl]methanamine
CAS Name: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine
IUPAC NAME: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine
SYSTEMATIC NAME: N-[(4-tert-butyl-2-chloranyl-phenoxy)-methoxy-phosphoryl]methanamine
MOLECULAR FORMULA: C12H19ClNO3P
MOLECULAR WEIGHT: 291.710921
SMILES: CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
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Product OPENEYE NAME: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
CAS Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester hydrobromide
IUPAC NAME: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
SYSTEMATIC NAME: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
MOLECULAR FORMULA: C8H14BrNO2
MOLECULAR WEIGHT: 236.10626
SMILES: CN1CCC=C(C1)C(=O)OC.Br
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Product OPENEYE NAME: 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CAS Name: 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
IUPAC NAME: 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SYSTEMATIC NAME: 1-methyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CN1C(=O)CCC(=N1)C(=O)N
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Product OPENEYE NAME: bis(2-hydroxyethyl)ammonium; 2-(3,5-diiodo-4-oxo-1-pyridyl)acetate
CAS Name: bis(2-hydroxyethyl)ammonium; 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
IUPAC NAME: bis(2-hydroxyethyl)azanium; 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate
SYSTEMATIC NAME: bis(2-hydroxyethyl)azanium; 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoate
MOLECULAR FORMULA: C11H16I2N2O5
MOLECULAR WEIGHT: 510.06408
SMILES: C1=C(C(=O)C(=CN1CC(=O)[O-])I)I.C(CO)[NH2+]CCO
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Product OPENEYE NAME: 2-(3,5-diiodo-4-oxo-1-pyridyl)acetic acid
CAS Name: 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetic acid
IUPAC NAME: 2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid
SYSTEMATIC NAME: 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoic acid
MOLECULAR FORMULA: C7H5I2NO3
MOLECULAR WEIGHT: 404.92844
SMILES: C1=C(C(=O)C(=CN1CC(=O)O)I)I
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Product OPENEYE NAME: (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
CAS Name: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
IUPAC NAME: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C9H9I2NO3
MOLECULAR WEIGHT: 432.9816
SMILES: C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N
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Product OPENEYE NAME: N-methyl-1-phenyl-propan-2-amine hydrochloride
CAS Name: N-methyl-1-phenyl-2-propanamine hydrochloride
IUPAC NAME: N-methyl-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-methyl-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C10H16ClN
MOLECULAR WEIGHT: 185.69374
SMILES: CC(CC1=CC=CC=C1)NC.Cl
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Product OPENEYE NAME: (2S)-2-amino-3-(4-hydroxy-3-methoxy-phenyl)propanoic acid
CAS Name: (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
IUPAC NAME: (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O
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Product OPENEYE NAME: [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium
CAS Name: [(2S,4R,5S)-4-hydroxy-5-methyl-2-oxolanyl]methyl-trimethylammonium
IUPAC NAME: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
SYSTEMATIC NAME: trimethyl-[[(2S,4R,5S)-5-methyl-4-oxidanyl-oxolan-2-yl]methyl]azanium
MOLECULAR FORMULA: C9H20NO2+
MOLECULAR WEIGHT: 174.2606
SMILES: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O
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Product OPENEYE NAME: allylbenzene
CAS Name: prop-2-enylbenzene
IUPAC NAME: prop-2-enylbenzene
SYSTEMATIC NAME: prop-2-enylbenzene
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C=CCC1=CC=CC=C1
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