Product OPENEYE NAME: 2,4-dimethylhexane
CAS Name: 2,4-dimethylhexane
IUPAC NAME: 2,4-dimethylhexane
SYSTEMATIC NAME: 2,4-dimethylhexane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCC(C)CC(C)C
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Product OPENEYE NAME: 4-methylheptane
CAS Name: 4-methylheptane
IUPAC NAME: 4-methylheptane
SYSTEMATIC NAME: 4-methylheptane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCCC(C)CCC
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Product OPENEYE NAME: heptan-4-ol
CAS Name: 4-heptanol
IUPAC NAME: heptan-4-ol
SYSTEMATIC NAME: heptan-4-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCCC(CCC)O
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Product OPENEYE NAME: isobutyl 3-methylbutanoate
CAS Name: 3-methylbutanoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 3-methylbutanoate
SYSTEMATIC NAME: 2-methylpropyl 3-methylbutanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CC(C)CC(=O)OCC(C)C
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Product OPENEYE NAME: octan-4-ol
CAS Name: 4-octanol
IUPAC NAME: octan-4-ol
SYSTEMATIC NAME: octan-4-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCC(CCC)O
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Product OPENEYE NAME: octan-4-one
CAS Name: 4-octanone
IUPAC NAME: octan-4-one
SYSTEMATIC NAME: octan-4-one
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCC(=O)CCC
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Product OPENEYE NAME: butyl octanoate
CAS Name: octanoic acid butyl ester
IUPAC NAME: butyl octanoate
SYSTEMATIC NAME: butyl octanoate
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CCCCCCCC(=O)OCCCC
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Product OPENEYE NAME: ethyl 6-fluorohexanoate
CAS Name: 6-fluorohexanoic acid ethyl ester
IUPAC NAME: ethyl 6-fluorohexanoate
SYSTEMATIC NAME: ethyl 6-fluoranylhexanoate
MOLECULAR FORMULA: C8H15FO2
MOLECULAR WEIGHT: 162.201903
SMILES: CCOC(=O)CCCCCF
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Product OPENEYE NAME: 3-methylheptane
CAS Name: 3-methylheptane
IUPAC NAME: 3-methylheptane
SYSTEMATIC NAME: 3-methylheptane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCCCC(C)CC
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Product OPENEYE NAME: heptan-3-ol
CAS Name: 3-heptanol
IUPAC NAME: heptan-3-ol
SYSTEMATIC NAME: heptan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCCCC(CC)O
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Product OPENEYE NAME: propyl N-hydroxycarbamate
CAS Name: N-hydroxycarbamic acid propyl ester
IUPAC NAME: propyl N-hydroxycarbamate
SYSTEMATIC NAME: propyl N-oxidanylcarbamate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: CCCOC(=O)NO
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Product OPENEYE NAME: 1-bromo-4-iodo-benzene
CAS Name: 1-bromo-4-iodobenzene
IUPAC NAME: 1-bromo-4-iodobenzene
SYSTEMATIC NAME: 1-bromanyl-4-iodanyl-benzene
MOLECULAR FORMULA: C6H4BrI
MOLECULAR WEIGHT: 282.90443
SMILES: C1=CC(=CC=C1Br)I
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Product OPENEYE NAME: 1,4-dimethylcyclohexane
CAS Name: 1,4-dimethylcyclohexane
IUPAC NAME: 1,4-dimethylcyclohexane
SYSTEMATIC NAME: 1,4-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC1CCC(CC1)C
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