Product OPENEYE NAME: 1,2,3,4,5,6-hexamethylbenzene
CAS Name: 1,2,3,4,5,6-hexamethylbenzene
IUPAC NAME: 1,2,3,4,5,6-hexamethylbenzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexamethylbenzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CC1=C(C(=C(C(=C1C)C)C)C)C
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Product OPENEYE NAME: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CAS Name: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
IUPAC NAME: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C3Cl3N3O3
MOLECULAR WEIGHT: 232.4094
SMILES: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
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Product OPENEYE NAME: dibutyl (2R,3R)-2,3-dihydroxybutanedioate
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid dibutyl ester
IUPAC NAME: dibutyl (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dibutyl (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C12H22O6
MOLECULAR WEIGHT: 262.29948
SMILES: CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O
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Product OPENEYE NAME: 2,6-ditert-butyl-4-(methoxymethyl)phenol
CAS Name: 2,6-ditert-butyl-4-(methoxymethyl)phenol
IUPAC NAME: 2,6-ditert-butyl-4-(methoxymethyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(methoxymethyl)phenol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC
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Product OPENEYE NAME: (2S,4R)-pentane-1,2,3,4,5-pentol
CAS Name: (2S,4R)-pentane-1,2,3,4,5-pentol
IUPAC NAME: (2S,4R)-pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: (2S,4R)-pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C5H12O5
MOLECULAR WEIGHT: 152.14578
SMILES: C([C@H](C([C@H](CO)O)O)O)O
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Product OPENEYE NAME: 2,4,6-trimethylaniline
CAS Name: 2,4,6-trimethylaniline
IUPAC NAME: 2,4,6-trimethylaniline
SYSTEMATIC NAME: 2,4,6-trimethylaniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC(=C(C(=C1)C)N)C
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Product OPENEYE NAME: 2,4,6-trichlorophenol
CAS Name: 2,4,6-trichlorophenol
IUPAC NAME: 2,4,6-trichlorophenol
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)phenol
MOLECULAR FORMULA: C6H3Cl3O
MOLECULAR WEIGHT: 197.44642
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)Cl
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Product OPENEYE NAME: 2-ethylbutanoic acid
CAS Name: 2-ethylbutanoic acid
IUPAC NAME: 2-ethylbutanoic acid
SYSTEMATIC NAME: 2-ethylbutanoic acid
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(CC)C(=O)O
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Product OPENEYE NAME: N,N-diethylcarbamoyl chloride
CAS Name: N,N-diethylcarbamoyl chloride
IUPAC NAME: N,N-diethylcarbamoyl chloride
SYSTEMATIC NAME: N,N-diethylcarbamoyl chloride
MOLECULAR FORMULA: C5H10ClNO
MOLECULAR WEIGHT: 135.592
SMILES: CCN(CC)C(=O)Cl
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Product OPENEYE NAME: 1-vinylpyrrolidin-2-one
CAS Name: 1-ethenyl-2-pyrrolidinone
IUPAC NAME: 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C6H9NO
MOLECULAR WEIGHT: 111.14176
SMILES: C=CN1CCCC1=O
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Product OPENEYE NAME: thiophene-3-carboxylic acid
CAS Name: 3-thiophenecarboxylic acid
IUPAC NAME: thiophene-3-carboxylic acid
SYSTEMATIC NAME: thiophene-3-carboxylic acid
MOLECULAR FORMULA: C5H4O2S
MOLECULAR WEIGHT: 128.14906
SMILES: C1=CSC=C1C(=O)O
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Product OPENEYE NAME: furan-2-carboxylic acid
CAS Name: 2-furancarboxylic acid
IUPAC NAME: furan-2-carboxylic acid
SYSTEMATIC NAME: furan-2-carboxylic acid
MOLECULAR FORMULA: C5H4O3
MOLECULAR WEIGHT: 112.08346
SMILES: C1=COC(=C1)C(=O)O
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Product OPENEYE NAME: 1-(2-thienyl)ethanone
CAS Name: 1-thiophen-2-ylethanone
IUPAC NAME: 1-thiophen-2-ylethanone
SYSTEMATIC NAME: 1-thiophen-2-ylethanone
MOLECULAR FORMULA: C6H6OS
MOLECULAR WEIGHT: 126.17624
SMILES: CC(=O)C1=CC=CS1
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Product OPENEYE NAME: 1-chloro-2-(trifluoromethyl)benzene
CAS Name: 1-chloro-2-(trifluoromethyl)benzene
IUPAC NAME: 1-chloro-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H4ClF3
MOLECULAR WEIGHT: 180.55487
SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl
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Product OPENEYE NAME: 2-(trifluoromethyl)aniline
CAS Name: 2-(trifluoromethyl)aniline
IUPAC NAME: 2-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H6F3N
MOLECULAR WEIGHT: 161.12445
SMILES: C1=CC=C(C(=C1)C(F)(F)F)N
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Product OPENEYE NAME: 2-tert-butylphenol
CAS Name: 2-tert-butylphenol
IUPAC NAME: 2-tert-butylphenol
SYSTEMATIC NAME: 2-tert-butylphenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC(C)(C)C1=CC=CC=C1O
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