3-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid

Systemtic Name: 3-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid Openeye Name: 3-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid CAS Name: 3-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid IUPAC Name: 3-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid Traditional Name: 3-methylsulfonyloxy-2-[4-(trifluoromethyl)phenyl]valeric acid Formula: C13H15F3O5S MolecularWeight: 340.31541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)O)OS(=O)(=O)C

Isomeric SMILES

CCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C13H15F3O5S/c1-3-10(21-22(2,19)20)11(12(17)18)8-4-6-9(7-5-8)13(14,15)16/h4-7,10-11H,3H2,1-2H3,(H,17,18)