3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(4-mesylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid Formula: C20H17F3O4S MolecularWeight: 410.40679

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC(C2)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC(C2)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3O4S/c1-28(26,27)16-8-4-13(5-9-16)18-11-14(19(24)25)10-17(18)12-2-6-15(7-3-12)20(21,22)23/h2-9,14H,10-11H2,1H3,(H,24,25)