Product OPENEYE NAME: bis(ethylsulfanyl)methanone
CAS Name: bis(ethylthio)methanone
IUPAC NAME: bis(ethylsulfanyl)methanone
SYSTEMATIC NAME: bis(ethylsulfanyl)methanone
MOLECULAR FORMULA: C5H10OS2
MOLECULAR WEIGHT: 150.2623
SMILES: CCSC(=O)SCC
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Product OPENEYE NAME: diethyl sulfite
CAS Name: sulfurous acid diethyl ester
IUPAC NAME: diethyl sulfite
SYSTEMATIC NAME: diethyl sulfite
MOLECULAR FORMULA: C4H10O3S
MOLECULAR WEIGHT: 138.1854
SMILES: CCOS(=O)OCC
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Product OPENEYE NAME: 2-acetoxypropyl acetate
CAS Name: acetic acid 2-acetyloxypropyl ester
IUPAC NAME: 2-acetyloxypropyl acetate
SYSTEMATIC NAME: 2-acetyloxypropyl ethanoate
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC(COC(=O)C)OC(=O)C
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Product OPENEYE NAME: ethyl N-propylcarbamate
CAS Name: N-propylcarbamic acid ethyl ester
IUPAC NAME: ethyl N-propylcarbamate
SYSTEMATIC NAME: ethyl N-propylcarbamate
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCCNC(=O)OCC
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Product OPENEYE NAME: (2-hydroxy-3-nitrooxy-propyl) nitrate
CAS Name: nitric acid (2-hydroxy-3-nitrooxypropyl) ester
IUPAC NAME: (2-hydroxy-3-nitrooxypropyl) nitrate
SYSTEMATIC NAME: (3-nitrooxy-2-oxidanyl-propyl) nitrate
MOLECULAR FORMULA: C3H6N2O7
MOLECULAR WEIGHT: 182.08894
SMILES: C(C(CO[N+](=O)[O-])O)O[N+](=O)[O-]
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Product OPENEYE NAME: diethyl but-2-enedioate
CAS Name: 2-butenedioic acid diethyl ester
IUPAC NAME: diethyl but-2-enedioate
SYSTEMATIC NAME: diethyl but-2-enedioate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCOC(=O)C=CC(=O)OCC
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Product OPENEYE NAME: nonan-5-ol
CAS Name: 5-nonanol
IUPAC NAME: nonan-5-ol
SYSTEMATIC NAME: nonan-5-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCC(CCCC)O
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Product OPENEYE NAME: decan-4-one
CAS Name: 4-decanone
IUPAC NAME: decan-4-one
SYSTEMATIC NAME: decan-4-one
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCCCC(=O)CCC
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Product OPENEYE NAME: diethyl nonanedioate
CAS Name: nonanedioic acid diethyl ester
IUPAC NAME: diethyl nonanedioate
SYSTEMATIC NAME: diethyl nonanedioate
MOLECULAR FORMULA: C13H24O4
MOLECULAR WEIGHT: 244.32726
SMILES: CCOC(=O)CCCCCCCC(=O)OCC
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Product OPENEYE NAME: benzene-1,4-diamine dihydrochloride
CAS Name: benzene-1,4-diamine dihydrochloride
IUPAC NAME: benzene-1,4-diamine dihydrochloride
SYSTEMATIC NAME: benzene-1,4-diamine dihydrochloride
MOLECULAR FORMULA: C6H10Cl2N2
MOLECULAR WEIGHT: 181.063
SMILES: C1=CC(=CC=C1N)N.Cl.Cl
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Product OPENEYE NAME: methyl pentanoate
CAS Name: pentanoic acid methyl ester
IUPAC NAME: methyl pentanoate
SYSTEMATIC NAME: methyl pentanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCCCC(=O)OC
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Product OPENEYE NAME: 1-iodo-4-methyl-benzene
CAS Name: 1-iodo-4-methylbenzene
IUPAC NAME: 1-iodo-4-methylbenzene
SYSTEMATIC NAME: 1-iodanyl-4-methyl-benzene
MOLECULAR FORMULA: C7H7I
MOLECULAR WEIGHT: 218.03495
SMILES: CC1=CC=C(C=C1)I
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Product OPENEYE NAME: 1,4-diiodobenzene
CAS Name: 1,4-diiodobenzene
IUPAC NAME: 1,4-diiodobenzene
SYSTEMATIC NAME: 1,4-bis(iodanyl)benzene
MOLECULAR FORMULA: C6H4I2
MOLECULAR WEIGHT: 329.9049
SMILES: C1=CC(=CC=C1I)I
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Product OPENEYE NAME: 2-methylbutyl acetate
CAS Name: acetic acid 2-methylbutyl ester
IUPAC NAME: 2-methylbutyl acetate
SYSTEMATIC NAME: 2-methylbutyl ethanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCC(C)COC(=O)C
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Product OPENEYE NAME: 6-methylheptan-3-one
CAS Name: 6-methyl-3-heptanone
IUPAC NAME: 6-methylheptan-3-one
SYSTEMATIC NAME: 6-methylheptan-3-one
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCC(=O)CCC(C)C
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Product OPENEYE NAME: 2,3-dihydroxypropyl nitrate
CAS Name: nitric acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl nitrate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl nitrate
MOLECULAR FORMULA: C3H7NO5
MOLECULAR WEIGHT: 137.09138
SMILES: C(C(CO[N+](=O)[O-])O)O
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Product OPENEYE NAME: (1-methylpropylideneamino)urea
CAS Name: (butan-2-ylideneamino)urea
IUPAC NAME: (butan-2-ylideneamino)urea
SYSTEMATIC NAME: 1-(butan-2-ylideneamino)urea
MOLECULAR FORMULA: C5H11N3O
MOLECULAR WEIGHT: 129.16034
SMILES: CCC(=NNC(=O)N)C
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Product OPENEYE NAME: 1,2,3-trihydroxypropyl propanoate
CAS Name: propanoic acid 1,2,3-trihydroxypropyl ester
IUPAC NAME: 1,2,3-trihydroxypropyl propanoate
SYSTEMATIC NAME: 1,2,3-tris(oxidanyl)propyl propanoate
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: CCC(=O)OC(C(CO)O)O
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Product OPENEYE NAME: dimethyl but-2-enedioate
CAS Name: 2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl but-2-enedioate
SYSTEMATIC NAME: dimethyl but-2-enedioate
MOLECULAR FORMULA: C6H8O4
MOLECULAR WEIGHT: 144.12532
SMILES: COC(=O)C=CC(=O)OC
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Product OPENEYE NAME: nonan-3-ol
CAS Name: 3-nonanol
IUPAC NAME: nonan-3-ol
SYSTEMATIC NAME: nonan-3-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCCCC(CC)O
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Product OPENEYE NAME: pentyl propanoate
CAS Name: propanoic acid pentyl ester
IUPAC NAME: pentyl propanoate
SYSTEMATIC NAME: pentyl propanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCCCOC(=O)CC
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Product OPENEYE NAME: ethyl(methyl)ammonium chloride
CAS Name: ethyl(methyl)ammonium chloride
IUPAC NAME: ethyl(methyl)azanium chloride
SYSTEMATIC NAME: ethyl(methyl)azanium chloride
MOLECULAR FORMULA: C3H10ClN
MOLECULAR WEIGHT: 95.5712
SMILES: CC[NH2+]C.[Cl-]
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Product OPENEYE NAME: N-methylethanamine
CAS Name: N-methylethanamine
IUPAC NAME: N-methylethanamine
SYSTEMATIC NAME: N-methylethanamine
MOLECULAR FORMULA: C3H9N
MOLECULAR WEIGHT: 59.11026
SMILES: CCNC
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Product OPENEYE NAME: but-2-ene
CAS Name: 2-butene
IUPAC NAME: but-2-ene
SYSTEMATIC NAME: but-2-ene
MOLECULAR FORMULA: C4H8
MOLECULAR WEIGHT: 56.10632
SMILES: CC=CC
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