Product OPENEYE NAME: 10-(2-hexylcyclopropyl)decanoic acid
CAS Name: 10-(2-hexylcyclopropyl)decanoic acid
IUPAC NAME: 10-(2-hexylcyclopropyl)decanoic acid
SYSTEMATIC NAME: 10-(2-hexylcyclopropyl)decanoic acid
MOLECULAR FORMULA: C19H36O2
MOLECULAR WEIGHT: 296.48794
SMILES: CCCCCCC1CC1CCCCCCCCCC(=O)O
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Product OPENEYE NAME: 2-(fluoromethyl)oxirane
CAS Name: 2-(fluoromethyl)oxirane
IUPAC NAME: 2-(fluoromethyl)oxirane
SYSTEMATIC NAME: 2-(fluoranylmethyl)oxirane
MOLECULAR FORMULA: C3H5FO
MOLECULAR WEIGHT: 76.069603
SMILES: C1C(O1)CF
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Product OPENEYE NAME: but-2-yne
CAS Name: 2-butyne
IUPAC NAME: but-2-yne
SYSTEMATIC NAME: but-2-yne
MOLECULAR FORMULA: C4H6
MOLECULAR WEIGHT: 54.09044
SMILES: CC#CC
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Product OPENEYE NAME: 2-fluoroacetonitrile
CAS Name: 2-fluoroacetonitrile
IUPAC NAME: 2-fluoroacetonitrile
SYSTEMATIC NAME: 2-fluoranylethanenitrile
MOLECULAR FORMULA: C2H2FN
MOLECULAR WEIGHT: 59.042383
SMILES: C(C#N)F
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Product OPENEYE NAME: dimethyldiazene
CAS Name: dimethyldiazene
IUPAC NAME: dimethyldiazene
SYSTEMATIC NAME: dimethyldiazene
MOLECULAR FORMULA: C2H6N2
MOLECULAR WEIGHT: 58.08244
SMILES: CN=NC
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Product OPENEYE NAME: azetidine
CAS Name: azetidine
IUPAC NAME: azetidine
SYSTEMATIC NAME: azetidine
MOLECULAR FORMULA: C3H7N
MOLECULAR WEIGHT: 57.09438
SMILES: C1CNC1
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Product OPENEYE NAME: oxetane
CAS Name: oxetane
IUPAC NAME: oxetane
SYSTEMATIC NAME: oxetane
MOLECULAR FORMULA: C3H6O
MOLECULAR WEIGHT: 58.07914
SMILES: C1COC1
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Product OPENEYE NAME: allyl(trimethyl)ammonium hydroxide
CAS Name: trimethyl(prop-2-enyl)ammonium hydroxide
IUPAC NAME: trimethyl(prop-2-enyl)azanium hydroxide
SYSTEMATIC NAME: trimethyl(prop-2-enyl)azanium hydroxide
MOLECULAR FORMULA: C6H15NO
MOLECULAR WEIGHT: 117.1894
SMILES: C[N+](C)(C)CC=C.[OH-]
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Product OPENEYE NAME: allyl(trimethyl)ammonium
CAS Name: trimethyl(prop-2-enyl)ammonium
IUPAC NAME: trimethyl(prop-2-enyl)azanium
SYSTEMATIC NAME: trimethyl(prop-2-enyl)azanium
MOLECULAR FORMULA: C6H14N+
MOLECULAR WEIGHT: 100.18206
SMILES: C[N+](C)(C)CC=C
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Product OPENEYE NAME: trichloromethyl carbonochloridate
CAS Name: carbonochloridic acid trichloromethyl ester
IUPAC NAME: trichloromethyl carbonochloridate
SYSTEMATIC NAME: trichloromethyl carbonochloridate
MOLECULAR FORMULA: C2Cl4O2
MOLECULAR WEIGHT: 197.8322
SMILES: C(=O)(OC(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: methanedisulfonic acid
CAS Name: methanedisulfonic acid
IUPAC NAME: methanedisulfonic acid
SYSTEMATIC NAME: methanedisulfonic acid
MOLECULAR FORMULA: CH4O6S2
MOLECULAR WEIGHT: 176.16886
SMILES: C(S(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 4-hydroxy-4-methyl-tetrahydropyran-2-one
CAS Name: 4-hydroxy-4-methyl-2-oxanone
IUPAC NAME: 4-hydroxy-4-methyloxan-2-one
SYSTEMATIC NAME: 4-methyl-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC1(CCOC(=O)C1)O
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Product OPENEYE NAME: 1-chloro-3-methyl-but-2-ene
CAS Name: 1-chloro-3-methyl-2-butene
IUPAC NAME: 1-chloro-3-methylbut-2-ene
SYSTEMATIC NAME: 1-chloranyl-3-methyl-but-2-ene
MOLECULAR FORMULA: C5H9Cl
MOLECULAR WEIGHT: 104.57796
SMILES: CC(=CCCl)C
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Product OPENEYE NAME: 3-methylbutanoic acid
CAS Name: 3-methylbutanoic acid
IUPAC NAME: 3-methylbutanoic acid
SYSTEMATIC NAME: 3-methylbutanoic acid
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC(C)CC(=O)O
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Product OPENEYE NAME: dimethylarsanyloxy(dimethyl)arsane
CAS Name: dimethylarsinooxy(dimethyl)arsine
IUPAC NAME: dimethylarsanyloxy(dimethyl)arsane
SYSTEMATIC NAME: dimethylarsanyloxy(dimethyl)arsane
MOLECULAR FORMULA: C4H12As2O
MOLECULAR WEIGHT: 225.98068
SMILES: C[As](C)O[As](C)C
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Product OPENEYE NAME: cyclohexane-1,3-diol
CAS Name: cyclohexane-1,3-diol
IUPAC NAME: cyclohexane-1,3-diol
SYSTEMATIC NAME: cyclohexane-1,3-diol
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: C1CC(CC(C1)O)O
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Product OPENEYE NAME: cyclohexane-1,3-dione
CAS Name: cyclohexane-1,3-dione
IUPAC NAME: cyclohexane-1,3-dione
SYSTEMATIC NAME: cyclohexane-1,3-dione
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C1CC(=O)CC(=O)C1
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Product OPENEYE NAME: 1,3,5-triazine-2,4-diamine
CAS Name: 1,3,5-triazine-2,4-diamine
IUPAC NAME: 1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C3H5N5
MOLECULAR WEIGHT: 111.1053
SMILES: C1=NC(=NC(=N1)N)N
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Product OPENEYE NAME: 5-methylbenzene-1,3-diol
CAS Name: 5-methylbenzene-1,3-diol
IUPAC NAME: 5-methylbenzene-1,3-diol
SYSTEMATIC NAME: 5-methylbenzene-1,3-diol
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=CC(=CC(=C1)O)O
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Product OPENEYE NAME: 2,6-dimethylhepta-2,5-dien-4-one
CAS Name: 2,6-dimethyl-4-hepta-2,5-dienone
IUPAC NAME: 2,6-dimethylhepta-2,5-dien-4-one
SYSTEMATIC NAME: 2,6-dimethylhepta-2,5-dien-4-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC(=CC(=O)C=C(C)C)C
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Product OPENEYE NAME: pyridin-2-amine
CAS Name: 2-pyridinamine
IUPAC NAME: pyridin-2-amine
SYSTEMATIC NAME: pyridin-2-amine
MOLECULAR FORMULA: C5H6N2
MOLECULAR WEIGHT: 94.11454
SMILES: C1=CC=NC(=C1)N
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Product OPENEYE NAME: pentatriacontan-18-one
CAS Name: 18-pentatriacontanone
IUPAC NAME: pentatriacontan-18-one
SYSTEMATIC NAME: pentatriacontan-18-one
MOLECULAR FORMULA: C35H70O
MOLECULAR WEIGHT: 506.9297
SMILES: CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: nonadecan-10-one
CAS Name: 10-nonadecanone
IUPAC NAME: nonadecan-10-one
SYSTEMATIC NAME: nonadecan-10-one
MOLECULAR FORMULA: C19H38O
MOLECULAR WEIGHT: 282.50442
SMILES: CCCCCCCCCC(=O)CCCCCCCCC
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Product OPENEYE NAME: propane-1,3-diol
CAS Name: propane-1,3-diol
IUPAC NAME: propane-1,3-diol
SYSTEMATIC NAME: propane-1,3-diol
MOLECULAR FORMULA: C3H8O2
MOLECULAR WEIGHT: 76.09442
SMILES: C(CO)CO
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