Product OPENEYE NAME: ammonium hydroxide
CAS Name: ammonium hydroxide
IUPAC NAME: azanium hydroxide
SYSTEMATIC NAME: azanium hydroxide
MOLECULAR FORMULA: H5NO
MOLECULAR WEIGHT: 35.0458
SMILES: [NH4+].[OH-]
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Product OPENEYE NAME: 2-hydroxyethyl(trimethyl)ammonium; iron; propane-1,2,3-tricarboxylic acid; hydrate
CAS Name: 2-hydroxyethyl(trimethyl)ammonium; iron; propane-1,2,3-tricarboxylic acid; hydrate
IUPAC NAME: 2-hydroxyethyl(trimethyl)azanium; iron; propane-1,2,3-tricarboxylic acid; hydrate
SYSTEMATIC NAME: 2-hydroxyethyl(trimethyl)azanium; iron; propane-1,2,3-tricarboxylic acid; hydrate
MOLECULAR FORMULA: C11H24FeNO8+
MOLECULAR WEIGHT: 354.15516
SMILES: C[N+](C)(C)CCO.C(C(CC(=O)O)C(=O)O)C(=O)O.O.[Fe]
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Product OPENEYE NAME: propane-1,2,3-tricarboxylic acid
CAS Name: propane-1,2,3-tricarboxylic acid
IUPAC NAME: propane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: propane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: C(C(CC(=O)O)C(=O)O)C(=O)O
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Product OPENEYE NAME: [2-[(2R,3S,4R)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-ethyl] dodecanoate
CAS Name: dodecanoic acid [2-[(2R,3S,4R)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl] ester
IUPAC NAME: [2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] dodecanoate
SYSTEMATIC NAME: [2-[(2R,3S,4R)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] dodecanoate
MOLECULAR FORMULA: C18H34O6
MOLECULAR WEIGHT: 346.45896
SMILES: CCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)O)O
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Product OPENEYE NAME: [2-[(2R,3S,4R)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-ethyl] hexadecanoate
CAS Name: hexadecanoic acid [2-[(2R,3S,4R)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl] ester
IUPAC NAME: [2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
SYSTEMATIC NAME: [2-[(2R,3S,4R)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] hexadecanoate
MOLECULAR FORMULA: C22H42O6
MOLECULAR WEIGHT: 402.56528
SMILES: CCCCCCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)O)O
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Product OPENEYE NAME: [2-[(2R,3S,4R)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-ethyl] octadecanoate
CAS Name: octadecanoic acid [2-[(2R,3S,4R)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl] ester
IUPAC NAME: [2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate
SYSTEMATIC NAME: [2-[(2R,3S,4R)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] octadecanoate
MOLECULAR FORMULA: C24H46O6
MOLECULAR WEIGHT: 430.61844
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)O)O
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Product OPENEYE NAME: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride
CAS Name: propanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester chloride
IUPAC NAME: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride
SYSTEMATIC NAME: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl propanoate chloride
MOLECULAR FORMULA: C12H17ClN2O3
MOLECULAR WEIGHT: 272.72798
SMILES: CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate
CAS Name: propanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester
IUPAC NAME: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate
SYSTEMATIC NAME: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl propanoate
MOLECULAR FORMULA: C12H17N2O3+
MOLECULAR WEIGHT: 237.27498
SMILES: CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1
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Product OPENEYE NAME: N'-dodecyl-N,N,N'-trimethyl-ethane-1,2-diamine
CAS Name: N'-dodecyl-N,N,N'-trimethylethane-1,2-diamine
IUPAC NAME: N'-dodecyl-N,N,N'-trimethylethane-1,2-diamine
SYSTEMATIC NAME: N'-dodecyl-N,N,N'-trimethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C17H38N2
MOLECULAR WEIGHT: 270.49702
SMILES: CCCCCCCCCCCCN(C)CCN(C)C
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Product OPENEYE NAME: 1-(3-chlorophenyl)ethanone
CAS Name: 1-(3-chlorophenyl)ethanone
IUPAC NAME: 1-(3-chlorophenyl)ethanone
SYSTEMATIC NAME: 1-(3-chlorophenyl)ethanone
MOLECULAR FORMULA: C8H7ClO
MOLECULAR WEIGHT: 154.59358
SMILES: CC(=O)C1=CC(=CC=C1)Cl
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Product OPENEYE NAME: 6-methylheptyl hexadecanoate
CAS Name: hexadecanoic acid 6-methylheptyl ester
IUPAC NAME: 6-methylheptyl hexadecanoate
SYSTEMATIC NAME: 6-methylheptyl hexadecanoate
MOLECULAR FORMULA: C24H48O2
MOLECULAR WEIGHT: 368.63672
SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C
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Product OPENEYE NAME: ammonium fluoride hydrofluoride
CAS Name: ammonium fluoride hydrofluoride
IUPAC NAME: azanium fluoride hydrofluoride
SYSTEMATIC NAME: azanium fluoride hydrofluoride
MOLECULAR FORMULA: F2H5N
MOLECULAR WEIGHT: 57.043206
SMILES: [NH4+].F.[F-]
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Product OPENEYE NAME: dimagnesium 2,2,6,6-tetraoxido-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane hydrate
CAS Name: dimagnesium 2,2,6,6-tetraoxido-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane hydrate
IUPAC NAME: dimagnesium 2,2,6,6-tetraoxido-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane hydrate
SYSTEMATIC NAME: dimagnesium 2,2,6,6-tetrakis(oxidanidyl)-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane hydrate
MOLECULAR FORMULA: H2Mg2O9Si3
MOLECULAR WEIGHT: 278.87698
SMILES: O.[O-][Si]1(O[Si]2(O1)O[Si](O2)([O-])[O-])[O-].[Mg+2].[Mg+2]
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Product OPENEYE NAME: 2,2,6,6-tetrahydroxy-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane
CAS Name: 2,2,6,6-tetrahydroxy-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane
IUPAC NAME: 2,2,6,6-tetrahydroxy-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane
SYSTEMATIC NAME: 2,2,6,6-tetrakis(oxidanyl)-1,3,5,7-tetraoxa-2,4,6-trisilaspiro[3.3]heptane
MOLECULAR FORMULA: H4O8Si3
MOLECULAR WEIGHT: 216.28346
SMILES: O[Si]1(O[Si]2(O1)O[Si](O2)(O)O)O
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Product OPENEYE NAME: aluminum disodium hydroxide phosphate
CAS Name: aluminum disodium hydroxide phosphate
IUPAC NAME: aluminum disodium hydroxide phosphate
SYSTEMATIC NAME: aluminum disodium hydroxide phosphate
MOLECULAR FORMULA: AlHNa2O5P+
MOLECULAR WEIGHT: 184.939779
SMILES: [OH-].[O-]P(=O)([O-])[O-].[Na+].[Na+].[Al+3]
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Product OPENEYE NAME: 1,3,5-trichloro-2-(chloromethyl)benzene
CAS Name: 1,3,5-trichloro-2-(chloromethyl)benzene
IUPAC NAME: 1,3,5-trichloro-2-(chloromethyl)benzene
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-2-(chloromethyl)benzene
MOLECULAR FORMULA: C7H4Cl4
MOLECULAR WEIGHT: 229.91866
SMILES: C1=C(C=C(C(=C1Cl)CCl)Cl)Cl
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Product OPENEYE NAME: oxomanganese
CAS Name: oxomanganese
IUPAC NAME: oxomanganese
SYSTEMATIC NAME: oxidanylidenemanganese
MOLECULAR FORMULA: MnO
MOLECULAR WEIGHT: 70.937449
SMILES: O=[Mn]
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Product OPENEYE NAME: dicalcium silicate
CAS Name: dicalcium silicate
IUPAC NAME: dicalcium silicate
SYSTEMATIC NAME: dicalcium silicate
MOLECULAR FORMULA: Ca2O4Si
MOLECULAR WEIGHT: 172.2391
SMILES: [O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2]
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Product OPENEYE NAME: silicic acid
CAS Name: silicic acid
IUPAC NAME: silicic acid
SYSTEMATIC NAME: silicic acid
MOLECULAR FORMULA: H4O4Si
MOLECULAR WEIGHT: 96.11486
SMILES: O[Si](O)(O)O
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Product OPENEYE NAME: oxoiron
CAS Name: oxoiron
IUPAC NAME: oxoiron
SYSTEMATIC NAME: oxidanylideneiron
MOLECULAR FORMULA: FeO
MOLECULAR WEIGHT: 71.8444
SMILES: O=[Fe]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
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Product OPENEYE NAME: cyclohexa-1,4-dien-1-ylbenzene
CAS Name: 1-cyclohexa-1,4-dienylbenzene
IUPAC NAME: cyclohexa-1,4-dien-1-ylbenzene
SYSTEMATIC NAME: cyclohexa-1,4-dien-1-ylbenzene
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C1C=CCC(=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
CAS Name: 2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
IUPAC NAME: 2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
SYSTEMATIC NAME: 2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
MOLECULAR FORMULA: C24H27NO4
MOLECULAR WEIGHT: 393.47548
SMILES: COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
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Product OPENEYE NAME: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid
CAS Name: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid
IUPAC NAME: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
SYSTEMATIC NAME: 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
MOLECULAR FORMULA: C22H20O13
MOLECULAR WEIGHT: 492.3864
SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
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