Product OPENEYE NAME: 4,4-dimethylpentanoic acid
CAS Name: 4,4-dimethylpentanoic acid
IUPAC NAME: 4,4-dimethylpentanoic acid
SYSTEMATIC NAME: 4,4-dimethylpentanoic acid
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CC(C)(C)CCC(=O)O
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Product OPENEYE NAME: 2-methylpenta-1,3-diene
CAS Name: 2-methylpenta-1,3-diene
IUPAC NAME: 2-methylpenta-1,3-diene
SYSTEMATIC NAME: 2-methylpenta-1,3-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC=CC(=C)C
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Product OPENEYE NAME: N,N-dimethyloctanamide
CAS Name: N,N-dimethyloctanamide
IUPAC NAME: N,N-dimethyloctanamide
SYSTEMATIC NAME: N,N-dimethyloctanamide
MOLECULAR FORMULA: C10H21NO
MOLECULAR WEIGHT: 171.27984
SMILES: CCCCCCCC(=O)N(C)C
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Product OPENEYE NAME: 2-amino-5-ethoxy-5-oxo-pentanoic acid
CAS Name: 2-amino-5-ethoxy-5-oxopentanoic acid
IUPAC NAME: 2-amino-5-ethoxy-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-ethoxy-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: CCOC(=O)CCC(C(=O)O)N
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Product OPENEYE NAME: dimethyl pentanedioate
CAS Name: pentanedioic acid dimethyl ester
IUPAC NAME: dimethyl pentanedioate
SYSTEMATIC NAME: dimethyl pentanedioate
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: COC(=O)CCCC(=O)OC
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Product OPENEYE NAME: 5-chloropentanoic acid
CAS Name: 5-chloropentanoic acid
IUPAC NAME: 5-chloropentanoic acid
SYSTEMATIC NAME: 5-chloranylpentanoic acid
MOLECULAR FORMULA: C5H9ClO2
MOLECULAR WEIGHT: 136.57676
SMILES: C(CCCl)CC(=O)O
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Product OPENEYE NAME: hept-2-yne
CAS Name: 2-heptyne
IUPAC NAME: hept-2-yne
SYSTEMATIC NAME: hept-2-yne
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CCCCC#CC
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Product OPENEYE NAME: (pentylamino)ammonium chloride
CAS Name: (pentylamino)ammonium chloride
IUPAC NAME: (pentylamino)azanium chloride
SYSTEMATIC NAME: (pentylamino)azanium chloride
MOLECULAR FORMULA: C5H15ClN2
MOLECULAR WEIGHT: 138.639
SMILES: CCCCCN[NH3+].[Cl-]
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Product OPENEYE NAME: pentylhydrazine
CAS Name: pentylhydrazine
IUPAC NAME: pentylhydrazine
SYSTEMATIC NAME: pentyldiazane
MOLECULAR FORMULA: C5H14N2
MOLECULAR WEIGHT: 102.17806
SMILES: CCCCCNN
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Product OPENEYE NAME: hex-3-enedinitrile
CAS Name: 3-hexenedinitrile
IUPAC NAME: hex-3-enedinitrile
SYSTEMATIC NAME: hex-3-enedinitrile
MOLECULAR FORMULA: C6H6N2
MOLECULAR WEIGHT: 106.12524
SMILES: C(C=CCC#N)C#N
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Product OPENEYE NAME: dodecyl(trimethyl)ammonium bromide
CAS Name: dodecyl(trimethyl)ammonium bromide
IUPAC NAME: dodecyl(trimethyl)azanium bromide
SYSTEMATIC NAME: dodecyl(trimethyl)azanium bromide
MOLECULAR FORMULA: C15H34BrN
MOLECULAR WEIGHT: 308.34116
SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
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Product OPENEYE NAME: trimethyl(tetradecyl)ammonium bromide
CAS Name: trimethyl(tetradecyl)ammonium bromide
IUPAC NAME: trimethyl(tetradecyl)azanium bromide
SYSTEMATIC NAME: trimethyl(tetradecyl)azanium bromide
MOLECULAR FORMULA: C17H38BrN
MOLECULAR WEIGHT: 336.39432
SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
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Product OPENEYE NAME: trimethyl(tetradecyl)ammonium
CAS Name: trimethyl(tetradecyl)ammonium
IUPAC NAME: trimethyl(tetradecyl)azanium
SYSTEMATIC NAME: trimethyl(tetradecyl)azanium
MOLECULAR FORMULA: C17H38N+
MOLECULAR WEIGHT: 256.49032
SMILES: CCCCCCCCCCCCCC[N+](C)(C)C
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Product OPENEYE NAME: hexadecane-1-sulfonic acid
CAS Name: 1-hexadecanesulfonic acid
IUPAC NAME: hexadecane-1-sulfonic acid
SYSTEMATIC NAME: hexadecane-1-sulfonic acid
MOLECULAR FORMULA: C16H34O3S
MOLECULAR WEIGHT: 306.50436
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)O
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Product OPENEYE NAME: decan-2-ol
CAS Name: 2-decanol
IUPAC NAME: decan-2-ol
SYSTEMATIC NAME: decan-2-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCCCCC(C)O
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Product OPENEYE NAME: 9-chlorononanoic acid
CAS Name: 9-chlorononanoic acid
IUPAC NAME: 9-chlorononanoic acid
SYSTEMATIC NAME: 9-chloranylnonanoic acid
MOLECULAR FORMULA: C9H17ClO2
MOLECULAR WEIGHT: 192.68308
SMILES: C(CCCCCl)CCCC(=O)O
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