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2-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
2-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)S(=O)(=O)C(CCC2=CC(=CC=C2)C(F)(F)F)C(=O)O
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(CCC2=CC(=CC=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C18H17F3O4S/c1-12-5-8-15(9-6-12)26(24,25)16(17(22)23)10-7-13-3-2-4-14(11-13)18(19,20)21/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,23)
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