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8-methylsulfonyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid
8-methylsulfonyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=CC(=C1)C(F)(F)F)O
Isomeric SMILES
CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=CC(=C1)C(F)(F)F)O
InChI
InChI=1S/C21H31F3O6S/c1-31(28,29)19(11-4-2-3-5-13-20(26)27)12-7-9-17(25)15-30-18-10-6-8-16(14-18)21(22,23)24/h6,8,10,14,17,19,25H,2-5,7,9,11-13,15H2,1H3,(H,26,27)
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