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

Systemtic Name: 3-(4-methylphenyl)sulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid Openeye Name: 3-(p-tolylsulfonyloxy)-2-[4-(trifluoromethyl)phenyl]pentanoic acid CAS Name: 3-(4-methylphenyl)sulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonyloxy-2-[4-(trifluoromethyl)phenyl]pentanoic acid Traditional Name: 3-tosyloxy-2-[4-(trifluoromethyl)phenyl]valeric acid Formula: C19H19F3O5S MolecularWeight: 416.41137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)O)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H19F3O5S/c1-3-16(27-28(25,26)15-10-4-12(2)5-11-15)17(18(23)24)13-6-8-14(9-7-13)19(20,21)22/h4-11,16-17H,3H2,1-2H3,(H,23,24)