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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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