8-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]sulfonyl-octanoic acid

Systemtic Name: 8-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]sulfonyl-octanoic acid Openeye Name: 8-(2-thienyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-octanoic acid CAS Name: 8-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]sulfonyloctanoic acid IUPAC Name: 8-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]sulfonyloctanoic acid Traditional Name: 8-(2-thienyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-caprylic acid Formula: C19H21F3O4S2 MolecularWeight: 434.49285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(CCCCCCC2=CC=CS2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(CCCCCCC2=CC=CS2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H21F3O4S2/c20-19(21,22)14-7-5-10-16(13-14)28(25,26)17(18(23)24)11-4-2-1-3-8-15-9-6-12-27-15/h5-7,9-10,12-13,17H,1-4,8,11H2,(H,23,24)