2-(4-methylphenyl)-3-sulfinyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid

Systemtic Name: 2-(4-methylphenyl)-3-sulfinyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid Openeye Name: 2-(p-tolyl)-3-sulfinyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid CAS Name: 2-(4-methylphenyl)-3-sulfinyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid IUPAC Name: 2-(4-methylphenyl)-3-sulfinyl-7-[3-(trifluoromethyl)phenyl]heptanoic acid Traditional Name: 2-(p-tolyl)-3-sulfinyl-7-[3-(trifluoromethyl)phenyl]enanthic acid Formula: C21H21F3O3S MolecularWeight: 410.44985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=S=O)CCCCC2=CC(=CC=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=S=O)CCCCC2=CC(=CC=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H21F3O3S/c1-14-9-11-16(12-10-14)19(20(25)26)18(28-27)8-3-2-5-15-6-4-7-17(13-15)21(22,23)24/h4,6-7,9-13,19H,2-3,5,8H2,1H3,(H,25,26)