4-methylbenzenesulfonate; phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium

Systemtic Name: 4-methylbenzenesulfonate; phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; phenyl-bis[4-(trifluoromethyl)phenyl]sulfonium CAS Name: 4-methylbenzenesulfonate; phenyl-bis[4-(trifluoromethyl)phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium Traditional Name: phenyl-bis[4-(trifluoromethyl)phenyl]sulfonium tosylate Formula: C27H20F6O3S2 MolecularWeight: 570.566319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H13F6S.C7H8O3S/c21-19(22,23)14-6-10-17(11-7-14)27(16-4-2-1-3-5-16)18-12-8-15(9-13-18)20(24,25)26;1-6-2-4-7(5-3-6)11(8,9)10/h1-13H;2-5H,1H3,(H,8,9,10)/q+1;/p-1