Product OPENEYE NAME: 2,4-diisopropylphenol
CAS Name: 2,4-di(propan-2-yl)phenol
IUPAC NAME: 2,4-di(propan-2-yl)phenol
SYSTEMATIC NAME: 2,4-di(propan-2-yl)phenol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC(C)C1=CC(=C(C=C1)O)C(C)C
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Product OPENEYE NAME: hexane-2,5-diol
CAS Name: hexane-2,5-diol
IUPAC NAME: hexane-2,5-diol
SYSTEMATIC NAME: hexane-2,5-diol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(CCC(C)O)O
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Product OPENEYE NAME: methyl 3-sulfanylpropanoate
CAS Name: 3-mercaptopropanoic acid methyl ester
IUPAC NAME: methyl 3-sulfanylpropanoate
SYSTEMATIC NAME: methyl 3-sulfanylpropanoate
MOLECULAR FORMULA: C4H8O2S
MOLECULAR WEIGHT: 120.17012
SMILES: COC(=O)CCS
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Product OPENEYE NAME: 2-(1H-indol-3-yl)ethylammonium acetate
CAS Name: 2-(1H-indol-3-yl)ethylammonium acetate
IUPAC NAME: 2-(1H-indol-3-yl)ethylazanium acetate
SYSTEMATIC NAME: 2-(1H-indol-3-yl)ethylazanium ethanoate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2)CC[NH3+]
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Product OPENEYE NAME: allyl carbonochloridate
CAS Name: carbonochloridic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl carbonochloridate
SYSTEMATIC NAME: prop-2-enyl carbonochloridate
MOLECULAR FORMULA: C4H5ClO2
MOLECULAR WEIGHT: 120.5343
SMILES: C=CCOC(=O)Cl
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Product OPENEYE NAME: 2-methylbutane-1,4-diol
CAS Name: 2-methylbutane-1,4-diol
IUPAC NAME: 2-methylbutane-1,4-diol
SYSTEMATIC NAME: 2-methylbutane-1,4-diol
MOLECULAR FORMULA: C5H12O2
MOLECULAR WEIGHT: 104.14758
SMILES: CC(CCO)CO
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Product OPENEYE NAME: 1-phenylpropan-1-amine
CAS Name: 1-phenyl-1-propanamine
IUPAC NAME: 1-phenylpropan-1-amine
SYSTEMATIC NAME: 1-phenylpropan-1-amine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CCC(C1=CC=CC=C1)N
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Product OPENEYE NAME: S-ethyl N,N-diethylcarbamothioate
CAS Name: N,N-diethylcarbamothioic acid S-ethyl ester
IUPAC NAME: S-ethyl N,N-diethylcarbamothioate
SYSTEMATIC NAME: S-ethyl N,N-diethylcarbamothioate
MOLECULAR FORMULA: C7H15NOS
MOLECULAR WEIGHT: 161.2651
SMILES: CCN(CC)C(=O)SCC
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Product OPENEYE NAME: S-ethyl chloromethanethioate
CAS Name: chloromethanethioic acid S-ethyl ester
IUPAC NAME: S-ethyl chloromethanethioate
SYSTEMATIC NAME: S-ethyl chloranylmethanethioate
MOLECULAR FORMULA: C3H5ClOS
MOLECULAR WEIGHT: 124.5892
SMILES: CCSC(=O)Cl
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Product OPENEYE NAME: 4-nitro-1H-indazole
CAS Name: 4-nitro-1H-indazole
IUPAC NAME: 4-nitro-1H-indazole
SYSTEMATIC NAME: 4-nitro-1H-indazole
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CC2=C(C=NN2)C(=C1)[N+](=O)[O-]
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