2-methoxy-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]carbonyl-benzenesulfonic acid

Systemtic Name: 2-methoxy-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]carbonyl-benzenesulfonic acid Openeye Name: 2-methoxy-3-(trifluoromethyl)-5-[2-(trifluoromethyl)benzoyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[oxo-[2-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonic acid IUPAC Name: 2-methoxy-3-(trifluoromethyl)-5-[2-(trifluoromethyl)benzoyl]benzenesulfonic acid Traditional Name: 2-methoxy-3-(trifluoromethyl)-5-[2-(trifluoromethyl)benzoyl]besylic acid Formula: C16H10F6O5S MolecularWeight: 428.303019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H10F6O5S/c1-27-14-11(16(20,21)22)6-8(7-12(14)28(24,25)26)13(23)9-4-2-3-5-10(9)15(17,18)19/h2-7H,1H3,(H,24,25,26)