Product OPENEYE NAME: dimethyl (2R,3R)-2,3-dihydroxybutanedioate
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid dimethyl ester
IUPAC NAME: dimethyl (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dimethyl (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: COC(=O)[C@@H]([C@H](C(=O)OC)O)O
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Product OPENEYE NAME: 2,3,4,5,6-pentabromophenol
CAS Name: 2,3,4,5,6-pentabromophenol
IUPAC NAME: 2,3,4,5,6-pentabromophenol
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(bromanyl)phenol
MOLECULAR FORMULA: C6HBr5O
MOLECULAR WEIGHT: 488.59154
SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
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Product OPENEYE NAME: 1,2,3,4,5,6-hexaiodobenzene
CAS Name: 1,2,3,4,5,6-hexaiodobenzene
IUPAC NAME: 1,2,3,4,5,6-hexaiodobenzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexakis(iodanyl)benzene
MOLECULAR FORMULA: C6I6
MOLECULAR WEIGHT: 833.49102
SMILES: C1(=C(C(=C(C(=C1I)I)I)I)I)I
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Product OPENEYE NAME: 1,2,3,4,5-pentabromobenzene
CAS Name: 1,2,3,4,5-pentabromobenzene
IUPAC NAME: 1,2,3,4,5-pentabromobenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromanyl)benzene
MOLECULAR FORMULA: C6HBr5
MOLECULAR WEIGHT: 472.59214
SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)Br
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Product OPENEYE NAME: 1,2,3,4,5-pentachlorobenzene
CAS Name: 1,2,3,4,5-pentachlorobenzene
IUPAC NAME: 1,2,3,4,5-pentachlorobenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(chloranyl)benzene
MOLECULAR FORMULA: C6HCl5
MOLECULAR WEIGHT: 250.33714
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 1,2,3,4,5-pentaiodobenzene
CAS Name: 1,2,3,4,5-pentaiodobenzene
IUPAC NAME: 1,2,3,4,5-pentaiodobenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(iodanyl)benzene
MOLECULAR FORMULA: C6HI5
MOLECULAR WEIGHT: 707.59449
SMILES: C1=C(C(=C(C(=C1I)I)I)I)I
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Product OPENEYE NAME: diethyl 2-methylpropanedioate
CAS Name: 2-methylpropanedioic acid diethyl ester
IUPAC NAME: diethyl 2-methylpropanedioate
SYSTEMATIC NAME: diethyl 2-methylpropanedioate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCOC(=O)C(C)C(=O)OCC
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Product OPENEYE NAME: ethyl 2-chloro-3-oxo-butanoate
CAS Name: 2-chloro-3-oxobutanoic acid ethyl ester
IUPAC NAME: ethyl 2-chloro-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-chloranyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C6H9ClO3
MOLECULAR WEIGHT: 164.58686
SMILES: CCOC(=O)C(C(=O)C)Cl
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Product OPENEYE NAME: 3,4,5-trichlorophenol
CAS Name: 3,4,5-trichlorophenol
IUPAC NAME: 3,4,5-trichlorophenol
SYSTEMATIC NAME: 3,4,5-tris(chloranyl)phenol
MOLECULAR FORMULA: C6H3Cl3O
MOLECULAR WEIGHT: 197.44642
SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)O
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Product OPENEYE NAME: 2,6-dichlorobenzene-1,4-diamine
CAS Name: 2,6-dichlorobenzene-1,4-diamine
IUPAC NAME: 2,6-dichlorobenzene-1,4-diamine
SYSTEMATIC NAME: 2,6-bis(chloranyl)benzene-1,4-diamine
MOLECULAR FORMULA: C6H6Cl2N2
MOLECULAR WEIGHT: 177.03124
SMILES: C1=C(C=C(C(=C1Cl)N)Cl)N
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Product OPENEYE NAME: 2,4-dibromo-6-methyl-phenol
CAS Name: 2,4-dibromo-6-methylphenol
IUPAC NAME: 2,4-dibromo-6-methylphenol
SYSTEMATIC NAME: 2,4-bis(bromanyl)-6-methyl-phenol
MOLECULAR FORMULA: C7H6Br2O
MOLECULAR WEIGHT: 265.92994
SMILES: CC1=CC(=CC(=C1O)Br)Br
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Product OPENEYE NAME: 2,4,6-triiodophenol
CAS Name: 2,4,6-triiodophenol
IUPAC NAME: 2,4,6-triiodophenol
SYSTEMATIC NAME: 2,4,6-tris(iodanyl)phenol
MOLECULAR FORMULA: C6H3I3O
MOLECULAR WEIGHT: 471.80083
SMILES: C1=C(C=C(C(=C1I)O)I)I
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Product OPENEYE NAME: 3-ethyl-2-methyl-pentane
CAS Name: 3-ethyl-2-methylpentane
IUPAC NAME: 3-ethyl-2-methylpentane
SYSTEMATIC NAME: 3-ethyl-2-methyl-pentane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCC(CC)C(C)C
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Product OPENEYE NAME: 2-nitrobutan-1-ol
CAS Name: 2-nitro-1-butanol
IUPAC NAME: 2-nitrobutan-1-ol
SYSTEMATIC NAME: 2-nitrobutan-1-ol
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: CCC(CO)[N+](=O)[O-]
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Product OPENEYE NAME: 2-nitrofuran
CAS Name: 2-nitrofuran
IUPAC NAME: 2-nitrofuran
SYSTEMATIC NAME: 2-nitrofuran
MOLECULAR FORMULA: C4H3NO3
MOLECULAR WEIGHT: 113.07152
SMILES: C1=COC(=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-nitrothiophene
CAS Name: 2-nitrothiophene
IUPAC NAME: 2-nitrothiophene
SYSTEMATIC NAME: 2-nitrothiophene
MOLECULAR FORMULA: C4H3NO2S
MOLECULAR WEIGHT: 129.13712
SMILES: C1=CSC(=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-hydroxybenzenesulfonic acid
CAS Name: 2-hydroxybenzenesulfonic acid
IUPAC NAME: 2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: 2-oxidanylbenzenesulfonic acid
MOLECULAR FORMULA: C6H6O4S
MOLECULAR WEIGHT: 174.17444
SMILES: C1=CC=C(C(=C1)O)S(=O)(=O)O
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