7-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-enanthic acid Formula: C20H20ClF3O4S MolecularWeight: 448.88361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H20ClF3O4S/c21-16-11-9-14(10-12-16)5-2-1-3-8-18(19(25)26)29(27,28)17-7-4-6-15(13-17)20(22,23)24/h4,6-7,9-13,18H,1-3,5,8H2,(H,25,26)