Product OPENEYE NAME: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CAS Name: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
IUPAC NAME: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
SYSTEMATIC NAME: (2R,3R,4S,5S)-2,3,4,5-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O
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Product OPENEYE NAME: calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
CAS Name: calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
IUPAC NAME: calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
SYSTEMATIC NAME: calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
MOLECULAR FORMULA: C6H6CaMgO24P6-8
MOLECULAR WEIGHT: 712.323006
SMILES: C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Mg+2].[Ca+2]
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C14H22N2O16P2
MOLECULAR WEIGHT: 536.275802
SMILES: C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
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Product OPENEYE NAME: 1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-amino-pyrimidin-2-one
CAS Name: 1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-4-amino-2-pyrimidinone
IUPAC NAME: 1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
SYSTEMATIC NAME: 1-[(4aR,6R,7R,7aS)-2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-azanyl-pyrimidin-2-one
MOLECULAR FORMULA: C9H12N3O7P
MOLECULAR WEIGHT: 305.181241
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O
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Product OPENEYE NAME: 2-methylpropanehydrazide
CAS Name: 2-methylpropanehydrazide
IUPAC NAME: 2-methylpropanehydrazide
SYSTEMATIC NAME: 2-methylpropanehydrazide
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: CC(C)C(=O)NN
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Product OPENEYE NAME: N,N-dimethyl-2-vinyloxy-ethanamine
CAS Name: 2-ethenoxy-N,N-dimethylethanamine
IUPAC NAME: 2-ethenoxy-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-ethenoxy-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CN(C)CCOC=C
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Product OPENEYE NAME: N-butylbenzenesulfonamide
CAS Name: N-butylbenzenesulfonamide
IUPAC NAME: N-butylbenzenesulfonamide
SYSTEMATIC NAME: N-butylbenzenesulfonamide
MOLECULAR FORMULA: C10H15NO2S
MOLECULAR WEIGHT: 213.2966
SMILES: CCCCNS(=O)(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 4-methylazepan-2-one
CAS Name: 4-methyl-2-azepanone
IUPAC NAME: 4-methylazepan-2-one
SYSTEMATIC NAME: 4-methylazepan-2-one
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CC1CCCNC(=O)C1
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Product OPENEYE NAME: (2R,5R)-2-isopropyl-5-methyl-cyclohexanol
CAS Name: (2R,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol
IUPAC NAME: (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: C[C@@H]1CC[C@@H](C(C1)O)C(C)C
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Product OPENEYE NAME: (1R,2R,5R)-2-isopropyl-5-methyl-cyclohexanol
CAS Name: (1R,2R,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol
IUPAC NAME: (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: (1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C
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Product OPENEYE NAME: 2-(diethylamino)ethyl 3-amino-2-butoxy-benzoate
CAS Name: 3-amino-2-butoxybenzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 3-amino-2-butoxybenzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-azanyl-2-butoxy-benzoate
MOLECULAR FORMULA: C17H28N2O3
MOLECULAR WEIGHT: 308.41582
SMILES: CCCCOC1=C(C=CC=C1N)C(=O)OCCN(CC)CC
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Product OPENEYE NAME: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoic acid
CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylthio]benzoic acid
IUPAC NAME: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylsulfanyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]benzoic acid
MOLECULAR FORMULA: C16H16N4O4S
MOLECULAR WEIGHT: 360.38764
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=CC=CC=C3C(=O)O
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Product OPENEYE NAME: [3-allyl-5-[3-allyl-5-[(diethylammonio)methyl]-4-hydroxy-phenyl]-2-hydroxy-phenyl]methyl-diethyl-ammonium dichloride
CAS Name: [5-[3-[(diethylammonio)methyl]-4-hydroxy-5-prop-2-enylphenyl]-2-hydroxy-3-prop-2-enylphenyl]methyl-diethylammonium dichloride
IUPAC NAME: [5-[3-[(diethylazaniumyl)methyl]-4-hydroxy-5-prop-2-enylphenyl]-2-hydroxy-3-prop-2-enylphenyl]methyl-diethylazanium dichloride
SYSTEMATIC NAME: [5-[3-[(diethylazaniumyl)methyl]-4-oxidanyl-5-prop-2-enyl-phenyl]-2-oxidanyl-3-prop-2-enyl-phenyl]methyl-diethyl-azanium dichloride
MOLECULAR FORMULA: C28H42Cl2N2O2
MOLECULAR WEIGHT: 509.55128
SMILES: CC[NH+](CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)C[NH+](CC)CC)O)CC=C.[Cl-].[Cl-]
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Product OPENEYE NAME: 5-(1,3-dimethylbut-2-enyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)C=C(C)C
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