Product OPENEYE NAME: 3-nitro-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzenesulfonamide
CAS Name: 3-nitro-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzenesulfonamide
IUPAC NAME: 3-nitro-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: 3-nitro-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C14H14N4O8S2
MOLECULAR WEIGHT: 430.41296
SMILES: C1=CC(=CC(=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 6,6-dimethyl-2-methylene-norpinane
CAS Name: 6,6-dimethyl-4-methylenebicyclo[3.1.1]heptane
IUPAC NAME: 6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
SYSTEMATIC NAME: 6,6-dimethyl-4-methylidene-bicyclo[3.1.1]heptane
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1(C2CCC(=C)C1C2)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H8Cl8CuN8
MOLECULAR WEIGHT: 851.62952
SMILES: C1=C(C=C(C2=C3[N-]C(=C21)N=C4C5=CC(=CC(=C5C(=N4)N=C6C7=C(C=C(C=C7C(=NC8=NC(=N3)C9=C(C=C(C=C98)Cl)Cl)[N-]6)Cl)Cl)Cl)Cl)Cl)Cl.[Cu+2]
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Product OPENEYE NAME: 8-methylnonyl prop-2-enoate
CAS Name: 2-propenoic acid 8-methylnonyl ester
IUPAC NAME: 8-methylnonyl prop-2-enoate
SYSTEMATIC NAME: 8-methylnonyl prop-2-enoate
MOLECULAR FORMULA: C13H24O2
MOLECULAR WEIGHT: 212.32846
SMILES: CC(C)CCCCCCCOC(=O)C=C
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Product OPENEYE NAME: 2,3-dihydroxypropyl hexadecanoate
CAS Name: hexadecanoic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl hexadecanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl hexadecanoate
MOLECULAR FORMULA: C19H38O4
MOLECULAR WEIGHT: 330.50262
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO)O
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Product OPENEYE NAME: O2-(8-methylnonyl) O1-octyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid O2-(8-methylnonyl) ester O1-octyl ester
IUPAC NAME: 2-O-(8-methylnonyl) 1-O-octyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O2-(8-methylnonyl) O1-octyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C26H42O4
MOLECULAR WEIGHT: 418.60928
SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C
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Product OPENEYE NAME: 2-allyloxypropan-1-ol
CAS Name: 2-prop-2-enoxy-1-propanol
IUPAC NAME: 2-prop-2-enoxypropan-1-ol
SYSTEMATIC NAME: 2-prop-2-enoxypropan-1-ol
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(CO)OCC=C
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Product OPENEYE NAME: 1-chloro-3-vinyl-benzene
CAS Name: 1-chloro-3-ethenylbenzene
IUPAC NAME: 1-chloro-3-ethenylbenzene
SYSTEMATIC NAME: 1-chloranyl-3-ethenyl-benzene
MOLECULAR FORMULA: C8H7Cl
MOLECULAR WEIGHT: 138.59418
SMILES: C=CC1=CC(=CC=C1)Cl
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Product OPENEYE NAME: 1-chloro-2-vinyl-benzene
CAS Name: 1-chloro-2-ethenylbenzene
IUPAC NAME: 1-chloro-2-ethenylbenzene
SYSTEMATIC NAME: 1-chloranyl-2-ethenyl-benzene
MOLECULAR FORMULA: C8H7Cl
MOLECULAR WEIGHT: 138.59418
SMILES: C=CC1=CC=CC=C1Cl
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Product OPENEYE NAME: 2-(1-phenylethylamino)ethanol
CAS Name: 2-(1-phenylethylamino)ethanol
IUPAC NAME: 2-(1-phenylethylamino)ethanol
SYSTEMATIC NAME: 2-(1-phenylethylamino)ethanol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC(C1=CC=CC=C1)NCCO
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Product OPENEYE NAME: 1,4-diethylcyclohexane
CAS Name: 1,4-diethylcyclohexane
IUPAC NAME: 1,4-diethylcyclohexane
SYSTEMATIC NAME: 1,4-diethylcyclohexane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCC1CCC(CC1)CC
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Product OPENEYE NAME: 3,4,5-trimethylnonan-2-one
CAS Name: 3,4,5-trimethyl-2-nonanone
IUPAC NAME: 3,4,5-trimethylnonan-2-one
SYSTEMATIC NAME: 3,4,5-trimethylnonan-2-one
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CCCCC(C)C(C)C(C)C(=O)C
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Product OPENEYE NAME: 4-tert-butyl-3-methyl-phenol
CAS Name: 4-tert-butyl-3-methylphenol
IUPAC NAME: 4-tert-butyl-3-methylphenol
SYSTEMATIC NAME: 4-tert-butyl-3-methyl-phenol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=C(C=CC(=C1)O)C(C)(C)C
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Product OPENEYE NAME: 3,7,8,9-tetramethyldec-4-yne-2,6-diol
CAS Name: 3,7,8,9-tetramethyl-4-decyne-2,6-diol
IUPAC NAME: 3,7,8,9-tetramethyldec-4-yne-2,6-diol
SYSTEMATIC NAME: 3,7,8,9-tetramethyldec-4-yne-2,6-diol
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CC(C)C(C)C(C)C(C#CC(C)C(C)O)O
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Product OPENEYE NAME: 2,3,4,5,6-pentahydroxyhexyl hexadecanoate
CAS Name: hexadecanoic acid 2,3,4,5,6-pentahydroxyhexyl ester
IUPAC NAME: 2,3,4,5,6-pentahydroxyhexyl hexadecanoate
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(oxidanyl)hexyl hexadecanoate
MOLECULAR FORMULA: C22H44O7
MOLECULAR WEIGHT: 420.58056
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)O)O)O
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Product OPENEYE NAME: trioxochromium
CAS Name: trioxochromium
IUPAC NAME: trioxochromium
SYSTEMATIC NAME: tris(oxidanylidene)chromium
MOLECULAR FORMULA: CrO3
MOLECULAR WEIGHT: 99.9943
SMILES: O=[Cr](=O)=O
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Product OPENEYE NAME: hydrogen fluoride
CAS Name: fluorane
IUPAC NAME: fluorane
SYSTEMATIC NAME: fluorane
MOLECULAR FORMULA: FH
MOLECULAR WEIGHT: 20.006343
SMILES: F
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Product OPENEYE NAME: methyl furan-3-carboxylate
CAS Name: 3-furancarboxylic acid methyl ester
IUPAC NAME: methyl furan-3-carboxylate
SYSTEMATIC NAME: methyl furan-3-carboxylate
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: COC(=O)C1=COC=C1
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Product OPENEYE NAME: 1-(3,5-dimethylphenyl)ethanone
CAS Name: 1-(3,5-dimethylphenyl)ethanone
IUPAC NAME: 1-(3,5-dimethylphenyl)ethanone
SYSTEMATIC NAME: 1-(3,5-dimethylphenyl)ethanone
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC1=CC(=CC(=C1)C(=O)C)C
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