Product OPENEYE NAME: 5-methylhexanoic acid
CAS Name: 5-methylhexanoic acid
IUPAC NAME: 5-methylhexanoic acid
SYSTEMATIC NAME: 5-methylhexanoic acid
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CC(C)CCCC(=O)O
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Product OPENEYE NAME: acetoxymethyl acetate
CAS Name: acetic acid acetyloxymethyl ester
IUPAC NAME: acetyloxymethyl acetate
SYSTEMATIC NAME: acetyloxymethyl ethanoate
MOLECULAR FORMULA: C5H8O4
MOLECULAR WEIGHT: 132.11462
SMILES: CC(=O)OCOC(=O)C
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Product OPENEYE NAME: 1-isobutoxy-2-methyl-propane
CAS Name: 2-methyl-1-(2-methylpropoxy)propane
IUPAC NAME: 2-methyl-1-(2-methylpropoxy)propane
SYSTEMATIC NAME: 2-methyl-1-(2-methylpropoxy)propane
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CC(C)COCC(C)C
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Product OPENEYE NAME: 2-chlorooctane
CAS Name: 2-chlorooctane
IUPAC NAME: 2-chlorooctane
SYSTEMATIC NAME: 2-chloranyloctane
MOLECULAR FORMULA: C8H17Cl
MOLECULAR WEIGHT: 148.67358
SMILES: CCCCCCC(C)Cl
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Product OPENEYE NAME: pentyl acetate
CAS Name: acetic acid pentyl ester
IUPAC NAME: pentyl acetate
SYSTEMATIC NAME: pentyl ethanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCCCOC(=O)C
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Product OPENEYE NAME: 2-ethoxyethyl carbamate
CAS Name: carbamic acid 2-ethoxyethyl ester
IUPAC NAME: 2-ethoxyethyl carbamate
SYSTEMATIC NAME: 2-ethoxyethyl carbamate
MOLECULAR FORMULA: C5H11NO3
MOLECULAR WEIGHT: 133.14574
SMILES: CCOCCOC(=O)N
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Product OPENEYE NAME: hept-1-yne
CAS Name: 1-heptyne
IUPAC NAME: hept-1-yne
SYSTEMATIC NAME: hept-1-yne
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CCCCCC#C
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Product OPENEYE NAME: hexanenitrile
CAS Name: hexanenitrile
IUPAC NAME: hexanenitrile
SYSTEMATIC NAME: hexanenitrile
MOLECULAR FORMULA: C6H11N
MOLECULAR WEIGHT: 97.15824
SMILES: CCCCCC#N
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Product OPENEYE NAME: 1,5-dichloropentane
CAS Name: 1,5-dichloropentane
IUPAC NAME: 1,5-dichloropentane
SYSTEMATIC NAME: 1,5-bis(chloranyl)pentane
MOLECULAR FORMULA: C5H10Cl2
MOLECULAR WEIGHT: 141.0389
SMILES: C(CCCl)CCCl
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Product OPENEYE NAME: 1,5-diiodopentane
CAS Name: 1,5-diiodopentane
IUPAC NAME: 1,5-diiodopentane
SYSTEMATIC NAME: 1,5-bis(iodanyl)pentane
MOLECULAR FORMULA: C5H10I2
MOLECULAR WEIGHT: 323.94184
SMILES: C(CCI)CCI
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Product OPENEYE NAME: 1-ethoxybutane
CAS Name: 1-ethoxybutane
IUPAC NAME: 1-ethoxybutane
SYSTEMATIC NAME: 1-ethoxybutane
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCCOCC
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Product OPENEYE NAME: 2-methoxyethyl formate
CAS Name: formic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl formate
SYSTEMATIC NAME: 2-methoxyethyl methanoate
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: COCCOC=O
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Product OPENEYE NAME: butyl thiocyanate
CAS Name: thiocyanic acid butyl ester
IUPAC NAME: butyl thiocyanate
SYSTEMATIC NAME: butyl thiocyanate
MOLECULAR FORMULA: C5H9NS
MOLECULAR WEIGHT: 115.19666
SMILES: CCCCSC#N
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Product OPENEYE NAME: dipropylmercury
CAS Name: dipropylmercury
IUPAC NAME: dipropylmercury
SYSTEMATIC NAME: dipropylmercury
MOLECULAR FORMULA: C6H14Hg
MOLECULAR WEIGHT: 286.76536
SMILES: CCC[Hg]CCC
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Product OPENEYE NAME: mercuric difulminate
CAS Name: mercury(2+); oxidonitriliomethane
IUPAC NAME: mercury(2+); oxidoazaniumylidynemethane
SYSTEMATIC NAME: mercury(2+); oxidanidylazaniumylidynemethane
MOLECULAR FORMULA: C2HgN2O2
MOLECULAR WEIGHT: 284.6236
SMILES: [C-]#[N+][O-].[C-]#[N+][O-].[Hg+2]
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Product OPENEYE NAME: fulminate
CAS Name: oxidonitriliomethane
IUPAC NAME: oxidoazaniumylidynemethane
SYSTEMATIC NAME: oxidanidylazaniumylidynemethane
MOLECULAR FORMULA: CNO-
MOLECULAR WEIGHT: 42.0168
SMILES: [C-]#[N+][O-]
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Product OPENEYE NAME: 2-(2-chloroethoxy)ethanol
CAS Name: 2-(2-chloroethoxy)ethanol
IUPAC NAME: 2-(2-chloroethoxy)ethanol
SYSTEMATIC NAME: 2-(2-chloroethyloxy)ethanol
MOLECULAR FORMULA: C4H9ClO2
MOLECULAR WEIGHT: 124.56606
SMILES: C(COCCCl)O
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Product OPENEYE NAME: methoxy(methoxymethoxy)methane
CAS Name: methoxy(methoxymethoxy)methane
IUPAC NAME: methoxy(methoxymethoxy)methane
SYSTEMATIC NAME: methoxy(methoxymethoxy)methane
MOLECULAR FORMULA: C4H10O3
MOLECULAR WEIGHT: 106.1204
SMILES: COCOCOC
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Product OPENEYE NAME: cycloheptene
CAS Name: cycloheptene
IUPAC NAME: cycloheptene
SYSTEMATIC NAME: cycloheptene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: C1CCC=CCC1
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