Product OPENEYE NAME: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
CAS Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
IUPAC NAME: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoic acid
MOLECULAR FORMULA: C7H2F12O2
MOLECULAR WEIGHT: 346.070418
SMILES: C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CAS Name: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
IUPAC NAME: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanoic acid
MOLECULAR FORMULA: C5H4F6O3
MOLECULAR WEIGHT: 226.073879
SMILES: C(C(=O)O)C(C(F)(F)F)(C(F)(F)F)O
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Product OPENEYE NAME: 1-chloro-6-fluoro-hexane
CAS Name: 1-chloro-6-fluorohexane
IUPAC NAME: 1-chloro-6-fluorohexane
SYSTEMATIC NAME: 1-chloranyl-6-fluoranyl-hexane
MOLECULAR FORMULA: C6H12ClF
MOLECULAR WEIGHT: 138.610883
SMILES: C(CCCCl)CCF
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Product OPENEYE NAME: 2-methylsulfanylpropane
CAS Name: 2-(methylthio)propane
IUPAC NAME: 2-methylsulfanylpropane
SYSTEMATIC NAME: 2-methylsulfanylpropane
MOLECULAR FORMULA: C4H10S
MOLECULAR WEIGHT: 90.1872
SMILES: CC(C)SC
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Product OPENEYE NAME: 2,5-dimethyltetrahydrothiophene
CAS Name: 2,5-dimethylthiolane
IUPAC NAME: 2,5-dimethylthiolane
SYSTEMATIC NAME: 2,5-dimethylthiolane
MOLECULAR FORMULA: C6H12S
MOLECULAR WEIGHT: 116.22448
SMILES: CC1CCC(S1)C
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-methoxybutylamino)ethanol
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-methoxybutylamino)ethanol
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-methoxybutylamino)ethanol
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-methoxybutylamino)ethanol
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 281.34742
SMILES: COCCCCNCC(C1COC2=CC=CC=C2O1)O
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Product OPENEYE NAME: 2-(aziridin-1-yl)-N-[8-[[2-(aziridin-1-yl)acetyl]amino]octyl]acetamide
CAS Name: 2-(1-aziridinyl)-N-[8-[[2-(1-aziridinyl)-1-oxoethyl]amino]octyl]acetamide
IUPAC NAME: 2-(aziridin-1-yl)-N-[8-[[2-(aziridin-1-yl)acetyl]amino]octyl]acetamide
SYSTEMATIC NAME: 2-(aziridin-1-yl)-N-[8-[2-(aziridin-1-yl)ethanoylamino]octyl]ethanamide
MOLECULAR FORMULA: C16H30N4O2
MOLECULAR WEIGHT: 310.435
SMILES: C1CN1CC(=O)NCCCCCCCCNC(=O)CN2CC2
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Product OPENEYE NAME: 2-(4-isobutylphenyl)acetic acid
CAS Name: 2-[4-(2-methylpropyl)phenyl]acetic acid
IUPAC NAME: 2-[4-(2-methylpropyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(2-methylpropyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(C)CC1=CC=C(C=C1)CC(=O)O
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Product OPENEYE NAME: N'-(3-aminopropyl)-N'-butyl-propane-1,3-diamine
CAS Name: N'-(3-aminopropyl)-N'-butylpropane-1,3-diamine
IUPAC NAME: N'-(3-aminopropyl)-N'-butylpropane-1,3-diamine
SYSTEMATIC NAME: N'-(3-azanylpropyl)-N'-butyl-propane-1,3-diamine
MOLECULAR FORMULA: C10H25N3
MOLECULAR WEIGHT: 187.3256
SMILES: CCCCN(CCCN)CCCN
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Product OPENEYE NAME: 2-hydroxyethyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoate
CAS Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate
SYSTEMATIC NAME: 2-hydroxyethyl 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoate
MOLECULAR FORMULA: C14H15I3N2O5
MOLECULAR WEIGHT: 671.99271
SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)OCCO)I)NC(=O)C)I
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Product OPENEYE NAME: diethyl-[2-[(2-hydroxy-4-oxo-chromene-3-carbonyl)amino]ethyl]ammonium chloride
CAS Name: diethyl-[2-[[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-oxomethyl]amino]ethyl]ammonium chloride
IUPAC NAME: diethyl-[2-[(2-hydroxy-4-oxochromene-3-carbonyl)amino]ethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbonylamino]ethyl]azanium chloride
MOLECULAR FORMULA: C16H21ClN2O4
MOLECULAR WEIGHT: 340.80194
SMILES: CC[NH+](CC)CCNC(=O)C1=C(OC2=CC=CC=C2C1=O)O.[Cl-]
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Product OPENEYE NAME: N-[2-(diethylamino)ethyl]-2-hydroxy-4-oxo-chromene-3-carboxamide
CAS Name: N-[2-(diethylamino)ethyl]-2-hydroxy-4-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-[2-(diethylamino)ethyl]-2-hydroxy-4-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-2-oxidanyl-4-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C16H20N2O4
MOLECULAR WEIGHT: 304.341
SMILES: CCN(CC)CCNC(=O)C1=C(OC2=CC=CC=C2C1=O)O
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