Product OPENEYE NAME: trimethyl-[8-(trimethylammonio)octyl]ammonium diiodide
CAS Name: trimethyl-[8-(trimethylammonio)octyl]ammonium diiodide
IUPAC NAME: trimethyl-[8-(trimethylazaniumyl)octyl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[8-(trimethylazaniumyl)octyl]azanium diiodide
MOLECULAR FORMULA: C14H34I2N2
MOLECULAR WEIGHT: 484.2421
SMILES: C[N+](C)(C)CCCCCCCC[N+](C)(C)C.[I-].[I-]
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Product OPENEYE NAME: trimethyl-[8-(trimethylammonio)octyl]ammonium
CAS Name: trimethyl-[8-(trimethylammonio)octyl]ammonium
IUPAC NAME: trimethyl-[8-(trimethylazaniumyl)octyl]azanium
SYSTEMATIC NAME: trimethyl-[8-(trimethylazaniumyl)octyl]azanium
MOLECULAR FORMULA: C14H34N2+2
MOLECULAR WEIGHT: 230.43316
SMILES: C[N+](C)(C)CCCCCCCC[N+](C)(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C26H33FO7
MOLECULAR WEIGHT: 476.534423
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3C1(C[C@@H]([C@]4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC(O2)(C)C
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(p-tolyl)piperidin-1-ium-1-yl]butan-1-one chloride
CAS Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidin-1-iumyl]-1-butanone chloride
IUPAC NAME: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-ium-1-yl]butan-1-one chloride
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-[4-(4-methylphenyl)-4-oxidanyl-piperidin-1-ium-1-yl]butan-1-one chloride
MOLECULAR FORMULA: C22H27ClFNO2
MOLECULAR WEIGHT: 391.906683
SMILES: CC1=CC=C(C=C1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)O.[Cl-]
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Product OPENEYE NAME: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethyl-ammonium iodide
CAS Name: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylammonium iodide
IUPAC NAME: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
SYSTEMATIC NAME: 2-[fluoranyl(methyl)phosphoryl]oxypropyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C7H18FINO2P
MOLECULAR WEIGHT: 325.099954
SMILES: CC(C[N+](C)(C)C)OP(=O)(C)F.[I-]
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Product OPENEYE NAME: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethyl-ammonium
CAS Name: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylammonium
IUPAC NAME: 2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium
SYSTEMATIC NAME: 2-[fluoranyl(methyl)phosphoryl]oxypropyl-trimethyl-azanium
MOLECULAR FORMULA: C7H18FNO2P+
MOLECULAR WEIGHT: 198.195484
SMILES: CC(C[N+](C)(C)C)OP(=O)(C)F
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Product OPENEYE NAME: 4-chloro-1-(4-fluorophenyl)butan-1-one
CAS Name: 4-chloro-1-(4-fluorophenyl)-1-butanone
IUPAC NAME: 4-chloro-1-(4-fluorophenyl)butan-1-one
SYSTEMATIC NAME: 4-chloranyl-1-(4-fluorophenyl)butan-1-one
MOLECULAR FORMULA: C10H10ClFO
MOLECULAR WEIGHT: 200.637203
SMILES: C1=CC(=CC=C1C(=O)CCCCl)F
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Product OPENEYE NAME: isopropylcyclopentane
CAS Name: propan-2-ylcyclopentane
IUPAC NAME: propan-2-ylcyclopentane
SYSTEMATIC NAME: propan-2-ylcyclopentane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC(C)C1CCCC1
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Product OPENEYE NAME: 5-(4-chlorophenyl)-4,5-dihydrooxazol-2-amine
CAS Name: 5-(4-chlorophenyl)-4,5-dihydrooxazol-2-amine
IUPAC NAME: 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: C1C(OC(=N1)N)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1,2,8-trimethylnaphthalene
CAS Name: 1,2,8-trimethylnaphthalene
IUPAC NAME: 1,2,8-trimethylnaphthalene
SYSTEMATIC NAME: 1,2,8-trimethylnaphthalene
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: CC1=C(C2=C(C=CC=C2C)C=C1)C
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Product OPENEYE NAME: 1-methylsulfanylpropane
CAS Name: 1-(methylthio)propane
IUPAC NAME: 1-methylsulfanylpropane
SYSTEMATIC NAME: 1-methylsulfanylpropane
MOLECULAR FORMULA: C4H10S
MOLECULAR WEIGHT: 90.1872
SMILES: CCCSC
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Product OPENEYE NAME: 2-methyltetralin
CAS Name: 2-methyl-1,2,3,4-tetrahydronaphthalene
IUPAC NAME: 2-methyl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 2-methyl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: CC1CCC2=CC=CC=C2C1
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Product OPENEYE NAME: 2-(2-furyl)-1H-benzimidazole
CAS Name: 2-(2-furanyl)-1H-benzimidazole
IUPAC NAME: 2-(furan-2-yl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(furan-2-yl)-1H-benzimidazole
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
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Product OPENEYE NAME: triphenyl(thioxo)-$l^{5}-phosphane
CAS Name: triphenyl(sulfanylidene)phosphorane
IUPAC NAME: triphenyl(sulfanylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl(sulfanylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C18H15PS
MOLECULAR WEIGHT: 294.350461
SMILES: C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: benzoic acid
CAS Name: benzoic acid
IUPAC NAME: benzoic acid
SYSTEMATIC NAME: benzoic acid
MOLECULAR FORMULA: C7H6O2
MOLECULAR WEIGHT: 123.113995
SMILES: C1=CC=C(C=C1)[13C](=O)O
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Product OPENEYE NAME: dicyclohexylammonium nitrate
CAS Name: dicyclohexylammonium nitrate
IUPAC NAME: dicyclohexylazanium nitrate
SYSTEMATIC NAME: dicyclohexylazanium nitrate
MOLECULAR FORMULA: C12H24N2O3
MOLECULAR WEIGHT: 244.33056
SMILES: C1CCC(CC1)[NH2+]C2CCCCC2.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 4,5-dihydrothiazol-2-ylammonium chloride
CAS Name: 4,5-dihydrothiazol-2-ylammonium chloride
IUPAC NAME: 4,5-dihydro-1,3-thiazol-2-ylazanium chloride
SYSTEMATIC NAME: 4,5-dihydro-1,3-thiazol-2-ylazanium chloride
MOLECULAR FORMULA: C3H7ClN2S
MOLECULAR WEIGHT: 138.61908
SMILES: C1CSC(=N1)[NH3+].[Cl-]
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Product OPENEYE NAME: (3S)-2,3-dichloro-1,4-dioxane
CAS Name: (3S)-2,3-dichloro-1,4-dioxane
IUPAC NAME: (3S)-2,3-dichloro-1,4-dioxane
SYSTEMATIC NAME: (3S)-2,3-bis(chloranyl)-1,4-dioxane
MOLECULAR FORMULA: C4H6Cl2O2
MOLECULAR WEIGHT: 156.99524
SMILES: C1COC([C@@H](O1)Cl)Cl
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Product OPENEYE NAME: 2,2-dimethylcyclopentane-1,3-dione
CAS Name: 2,2-dimethylcyclopentane-1,3-dione
IUPAC NAME: 2,2-dimethylcyclopentane-1,3-dione
SYSTEMATIC NAME: 2,2-dimethylcyclopentane-1,3-dione
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: CC1(C(=O)CCC1=O)C
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Product OPENEYE NAME: N-dodecylacetamide
CAS Name: N-dodecylacetamide
IUPAC NAME: N-dodecylacetamide
SYSTEMATIC NAME: N-dodecylethanamide
MOLECULAR FORMULA: C14H29NO
MOLECULAR WEIGHT: 227.38616
SMILES: CCCCCCCCCCCCNC(=O)C
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Product OPENEYE NAME: N,N-dimethyloctadecanamide
CAS Name: N,N-dimethyloctadecanamide
IUPAC NAME: N,N-dimethyloctadecanamide
SYSTEMATIC NAME: N,N-dimethyloctadecanamide
MOLECULAR FORMULA: C20H41NO
MOLECULAR WEIGHT: 311.54564
SMILES: CCCCCCCCCCCCCCCCCC(=O)N(C)C
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Product OPENEYE NAME: N,N-dimethylhexadecanamide
CAS Name: N,N-dimethylhexadecanamide
IUPAC NAME: N,N-dimethylhexadecanamide
SYSTEMATIC NAME: N,N-dimethylhexadecanamide
MOLECULAR FORMULA: C18H37NO
MOLECULAR WEIGHT: 283.49248
SMILES: CCCCCCCCCCCCCCCC(=O)N(C)C
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MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CCOC(=O)C1=C2CCNC(C3=C2C(=CC=C3)N1)C
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MOLECULAR FORMULA: C18H23N3O
MOLECULAR WEIGHT: 297.39472
SMILES: CC1C2=C3C(=C(NC3=CC=C2)C(=O)N4CCCCC4)CCN1
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