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

Systemtic Name: 7-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-heptanoic acid Openeye Name: 7-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-heptanoic acid CAS Name: 7-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonylheptanoic acid IUPAC Name: 7-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonylheptanoic acid Traditional Name: 7-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-enanthic acid Formula: C20H21F3O4S MolecularWeight: 414.43855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3O4S/c21-20(22,23)16-11-7-12-17(14-16)28(26,27)18(19(24)25)13-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11-12,14,18H,2,5-6,10,13H2,(H,24,25)