3,5-bis(trifluoromethyl)benzenesulfonate; 10-(4-methylphenyl)thioxanthen-10-ium-9-one

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; 10-(4-methylphenyl)thioxanthen-10-ium-9-one Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; 10-(p-tolyl)thioxanthen-10-ium-9-one CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; 10-(4-methylphenyl)-9-thioxanthen-10-iumone IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; 10-(4-methylphenyl)thioxanthen-10-ium-9-one Traditional Name: 3,5-bis(trifluoromethyl)besylate; 10-(p-tolyl)thioxanthen-10-ium-9-one Formula: C28H18F6O4S2 MolecularWeight: 596.560539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+]2C3=CC=CC=C3C(=O)C4=CC=CC=C42.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[S+]2C3=CC=CC=C3C(=O)C4=CC=CC=C42.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H15OS.C8H4F6O3S/c1-14-10-12-15(13-11-14)22-18-8-4-2-6-16(18)20(21)17-7-3-5-9-19(17)22;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h2-13H,1H3;1-3H,(H,15,16,17)/q+1;/p-1