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ethyl 2-cyano-4-(phenylsulfonyl)-2-[3-(trifluoromethyl)phenyl]butanoate
ethyl 2-cyano-4-(phenylsulfonyl)-2-[3-(trifluoromethyl)phenyl]butanoate
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(=O)C(CCS(=O)(=O)C1=CC=CC=C1)(C#N)C2=CC(=CC=C2)C(F)(F)F
Isomeric SMILES
CCOC(=O)C(CCS(=O)(=O)C1=CC=CC=C1)(C#N)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H18F3NO4S/c1-2-28-18(25)19(14-24,15-7-6-8-16(13-15)20(21,22)23)11-12-29(26,27)17-9-4-3-5-10-17/h3-10,13H,2,11-12H2,1H3
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- 3-(3-hydroxyphenyl)propanoic acid
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