Product OPENEYE NAME: 1-iodododecane
CAS Name: 1-iodododecane
IUPAC NAME: 1-iodododecane
SYSTEMATIC NAME: 1-iodanyldodecane
MOLECULAR FORMULA: C12H25I
MOLECULAR WEIGHT: 296.23137
SMILES: CCCCCCCCCCCCI
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Product OPENEYE NAME: hexylcyclohexane
CAS Name: hexylcyclohexane
IUPAC NAME: hexylcyclohexane
SYSTEMATIC NAME: hexylcyclohexane
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: CCCCCCC1CCCCC1
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Product OPENEYE NAME: pentylcyclohexane
CAS Name: pentylcyclohexane
IUPAC NAME: pentylcyclohexane
SYSTEMATIC NAME: pentylcyclohexane
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCCCCC1CCCCC1
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Product OPENEYE NAME: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-pyrimidin-2-one
CAS Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoro-2-pyrimidinone
IUPAC NAME: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-fluoranyl-1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H12FN3O5
MOLECULAR WEIGHT: 261.207083
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N)F
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Product OPENEYE NAME: 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide; 2-(2-hydroxyethylamino)ethanol
CAS Name: 4-amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide; 2-(2-hydroxyethylamino)ethanol
IUPAC NAME: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 4-azanyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C15H24N4O5S
MOLECULAR WEIGHT: 372.43986
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N.C(CO)NCCO
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Product OPENEYE NAME: 2-fluoroethyl 2-(4-phenylphenyl)acetate
CAS Name: 2-(4-phenylphenyl)acetic acid 2-fluoroethyl ester
IUPAC NAME: 2-fluoroethyl 2-(4-phenylphenyl)acetate
SYSTEMATIC NAME: 2-fluoranylethyl 2-(4-phenylphenyl)ethanoate
MOLECULAR FORMULA: C16H15FO2
MOLECULAR WEIGHT: 258.287503
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)OCCF
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Product OPENEYE NAME: 3-[3-[3-[diethyl(methyl)ammonio]propoxycarbonyl]-2,4-diphenyl-cyclobutanecarbonyl]oxypropyl-diethyl-methyl-ammonium diiodide
CAS Name: 3-[[3-[3-[diethyl(methyl)ammonio]propoxy-oxomethyl]-2,4-diphenylcyclobutyl]-oxomethoxy]propyl-diethyl-methylammonium diiodide
IUPAC NAME: 3-[3-[3-[diethyl(methyl)azaniumyl]propoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxypropyl-diethyl-methylazanium diiodide
SYSTEMATIC NAME: 3-[3-[3-[diethyl(methyl)azaniumyl]propoxycarbonyl]-2,4-diphenyl-cyclobutyl]carbonyloxypropyl-diethyl-methyl-azanium diiodide
MOLECULAR FORMULA: C34H52I2N2O4
MOLECULAR WEIGHT: 806.59662
SMILES: CC[N+](C)(CC)CCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCC[N+](C)(CC)CC)C3=CC=CC=C3.[I-].[I-]
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Product OPENEYE NAME: 3-[3-[3-[diethyl(methyl)ammonio]propoxycarbonyl]-2,4-diphenyl-cyclobutanecarbonyl]oxypropyl-diethyl-methyl-ammonium
CAS Name: 3-[[3-[3-[diethyl(methyl)ammonio]propoxy-oxomethyl]-2,4-diphenylcyclobutyl]-oxomethoxy]propyl-diethyl-methylammonium
IUPAC NAME: 3-[3-[3-[diethyl(methyl)azaniumyl]propoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxypropyl-diethyl-methylazanium
SYSTEMATIC NAME: 3-[3-[3-[diethyl(methyl)azaniumyl]propoxycarbonyl]-2,4-diphenyl-cyclobutyl]carbonyloxypropyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C34H52N2O4+2
MOLECULAR WEIGHT: 552.78768
SMILES: CC[N+](C)(CC)CCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCC[N+](C)(CC)CC)C3=CC=CC=C3
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Product OPENEYE NAME: diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]ammonium chloride
CAS Name: diethyl-[2-[oxo-(3,4,5-trimethoxyphenyl)methoxy]ethyl]ammonium chloride
IUPAC NAME: diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]azanium chloride
MOLECULAR FORMULA: C16H26ClNO5
MOLECULAR WEIGHT: 347.83434
SMILES: CC[NH+](CC)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CAS Name: 3,4,5-trimethoxybenzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C16H25NO5
MOLECULAR WEIGHT: 311.3734
SMILES: CCN(CC)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
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Product OPENEYE NAME: (4-chlorophenyl) sulfite; dimethyl-(2-phenoxyethyl)-(2-thienylmethyl)ammonium
CAS Name: (4-chlorophenyl) sulfite; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)ammonium
IUPAC NAME: (4-chlorophenyl) sulfite; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
SYSTEMATIC NAME: (4-chlorophenyl) sulfite; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
MOLECULAR FORMULA: C21H24ClNO4S2
MOLECULAR WEIGHT: 454.00256
SMILES: C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1OS(=O)[O-])Cl
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Product OPENEYE NAME: dimethyl-(2-phenoxyethyl)-(2-thienylmethyl)ammonium
CAS Name: dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)ammonium
IUPAC NAME: dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
SYSTEMATIC NAME: dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
MOLECULAR FORMULA: C15H20NOS+
MOLECULAR WEIGHT: 262.3904
SMILES: C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2
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Product OPENEYE NAME: (4-chlorophenyl) hydrogen sulfite
CAS Name: sulfurous acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) hydrogen sulfite
SYSTEMATIC NAME: (4-chlorophenyl) hydrogen sulfite
MOLECULAR FORMULA: C6H5ClO3S
MOLECULAR WEIGHT: 192.6201
SMILES: C1=CC(=CC=C1OS(=O)O)Cl
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Product OPENEYE NAME: 5-oxohexyl acetate
CAS Name: acetic acid 5-oxohexyl ester
IUPAC NAME: 5-oxohexyl acetate
SYSTEMATIC NAME: 5-oxidanylidenehexyl ethanoate
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CC(=O)CCCCOC(=O)C
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Product OPENEYE NAME: calcium 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxo-chromen-2-olate
CAS Name: calcium 7-[(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-2-oxanyl)oxy]-3-[[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-oxomethyl]amino]-8-methyl-4-oxo-1-benzopyran-2-olate
IUPAC NAME: calcium 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-2-olate
SYSTEMATIC NAME: calcium 7-(4-aminocarbonyloxy-5-methoxy-6,6-dimethyl-3-oxidanyl-oxan-2-yl)oxy-8-methyl-3-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]carbonylamino]-4-oxidanylidene-chromen-2-olate
MOLECULAR FORMULA: C31H35CaN2O11+
MOLECULAR WEIGHT: 651.6944
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)[O-])OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Ca+2]
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