Product OPENEYE NAME: (1-methyl-3-oxo-butyl) acetate
CAS Name: acetic acid 4-oxopentan-2-yl ester
IUPAC NAME: 4-oxopentan-2-yl acetate
SYSTEMATIC NAME: 4-oxidanylidenepentan-2-yl ethanoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CC(CC(=O)C)OC(=O)C
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Product OPENEYE NAME: aniline; sulfuric acid
CAS Name: aniline; sulfuric acid
IUPAC NAME: aniline; sulfuric acid
SYSTEMATIC NAME: aniline; sulfuric acid
MOLECULAR FORMULA: C12H16N2O4S
MOLECULAR WEIGHT: 284.33144
SMILES: C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O
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Product OPENEYE NAME: chlorocyclohexane
CAS Name: chlorocyclohexane
IUPAC NAME: chlorocyclohexane
SYSTEMATIC NAME: chloranylcyclohexane
MOLECULAR FORMULA: C6H11Cl
MOLECULAR WEIGHT: 118.60454
SMILES: C1CCC(CC1)Cl
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Product OPENEYE NAME: tetrahydropyran-2-one
CAS Name: 2-oxanone
IUPAC NAME: oxan-2-one
SYSTEMATIC NAME: oxan-2-one
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: C1CCOC(=O)C1
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Product OPENEYE NAME: cycloheptadec-9-en-1-one
CAS Name: 1-cycloheptadec-9-enone
IUPAC NAME: cycloheptadec-9-en-1-one
SYSTEMATIC NAME: cycloheptadec-9-en-1-one
MOLECULAR FORMULA: C17H30O
MOLECULAR WEIGHT: 250.4195
SMILES: C1CCCC=CCCCCCCCC(=O)CCC1
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Product OPENEYE NAME: heptacosan-14-one
CAS Name: 14-heptacosanone
IUPAC NAME: heptacosan-14-one
SYSTEMATIC NAME: heptacosan-14-one
MOLECULAR FORMULA: C27H54O
MOLECULAR WEIGHT: 394.71706
SMILES: CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC
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Product OPENEYE NAME: 4-methylpentanenitrile
CAS Name: 4-methylpentanenitrile
IUPAC NAME: 4-methylpentanenitrile
SYSTEMATIC NAME: 4-methylpentanenitrile
MOLECULAR FORMULA: C6H11N
MOLECULAR WEIGHT: 97.15824
SMILES: CC(C)CCC#N
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Product OPENEYE NAME: isobutyl formate
CAS Name: formic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl formate
SYSTEMATIC NAME: 2-methylpropyl methanoate
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC(C)COC=O
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Product OPENEYE NAME: isobutyl nitrite
CAS Name: nitrous acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl nitrite
SYSTEMATIC NAME: 2-methylpropyl nitrite
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CC(C)CON=O
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Product OPENEYE NAME: 2-chloroethyl acetate
CAS Name: acetic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl acetate
SYSTEMATIC NAME: 2-chloroethyl ethanoate
MOLECULAR FORMULA: C4H7ClO2
MOLECULAR WEIGHT: 122.55018
SMILES: CC(=O)OCCCl
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Product OPENEYE NAME: 2-hydroxyethyl acetate
CAS Name: acetic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl acetate
SYSTEMATIC NAME: 2-hydroxyethyl ethanoate
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: CC(=O)OCCO
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Product OPENEYE NAME: barium(2+) dicyanide
CAS Name: barium(2+) dicyanide
IUPAC NAME: barium(2+) dicyanide
SYSTEMATIC NAME: barium(2+) dicyanide
MOLECULAR FORMULA: C2BaN2
MOLECULAR WEIGHT: 189.3618
SMILES: [C-]#N.[C-]#N.[Ba+2]
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Product OPENEYE NAME: 1-iodobutane
CAS Name: 1-iodobutane
IUPAC NAME: 1-iodobutane
SYSTEMATIC NAME: 1-iodanylbutane
MOLECULAR FORMULA: C4H9I
MOLECULAR WEIGHT: 184.01873
SMILES: CCCCI
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Product OPENEYE NAME: 3-chloropropanenitrile
CAS Name: 3-chloropropanenitrile
IUPAC NAME: 3-chloropropanenitrile
SYSTEMATIC NAME: 3-chloranylpropanenitrile
MOLECULAR FORMULA: C3H4ClN
MOLECULAR WEIGHT: 89.52356
SMILES: C(CCl)C#N
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Product OPENEYE NAME: propanedial
CAS Name: propanedial
IUPAC NAME: propanedial
SYSTEMATIC NAME: propanedial
MOLECULAR FORMULA: C3H4O2
MOLECULAR WEIGHT: 72.06266
SMILES: C(C=O)C=O
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Product OPENEYE NAME: 1-chloro-2-methylsulfanyl-ethane
CAS Name: 1-chloro-2-(methylthio)ethane
IUPAC NAME: 1-chloro-2-methylsulfanylethane
SYSTEMATIC NAME: 1-chloranyl-2-methylsulfanyl-ethane
MOLECULAR FORMULA: C3H7ClS
MOLECULAR WEIGHT: 110.60568
SMILES: CSCCCl
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Product OPENEYE NAME: isothiocyanatoethane
CAS Name: isothiocyanatoethane
IUPAC NAME: isothiocyanatoethane
SYSTEMATIC NAME: isothiocyanatoethane
MOLECULAR FORMULA: C3H5NS
MOLECULAR WEIGHT: 87.1435
SMILES: CCN=C=S
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Product OPENEYE NAME: chloro(chloromethoxy)methane
CAS Name: chloro(chloromethoxy)methane
IUPAC NAME: chloro(chloromethoxy)methane
SYSTEMATIC NAME: chloranyl(chloromethyloxy)methane
MOLECULAR FORMULA: C2H4Cl2O
MOLECULAR WEIGHT: 114.95856
SMILES: C(OCCl)Cl
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