4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: 4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: 4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonate IUPAC Name: 4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)besylate Formula: C21H13F6O3S- MolecularWeight: 459.381539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)[O-])C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)[O-])C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H14F6O3S/c1-12-17(20(22,23)24)15(13-8-4-2-5-9-13)19(31(28,29)30)16(18(12)21(25,26)27)14-10-6-3-7-11-14/h2-11H,1H3,(H,28,29,30)/p-1