bis(4-fluorophenyl)-(4-methylphenyl)sulfanium; methanesulfonate; phosphate

Systemtic Name: bis(4-fluorophenyl)-(4-methylphenyl)sulfanium; methanesulfonate; phosphate Openeye Name: bis(4-fluorophenyl)-(p-tolyl)sulfonium; methanesulfonate; phosphate CAS Name: bis(4-fluorophenyl)-(4-methylphenyl)sulfonium; methanesulfonate; phosphate IUPAC Name: bis(4-fluorophenyl)-(4-methylphenyl)sulfanium; methanesulfonate; phosphate Traditional Name: bis(4-fluorophenyl)-(p-tolyl)sulfonium mesylate phosphate Formula: C77H63F8O7PS5 MolecularWeight: 1443.605907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C19H15F2S.CH4O3S.H3O4P/c4*1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19;2*1-5(2,3)4/h4*2-13H,1H3;1H3,(H,2,3,4);(H3,1,2,3,4)/q4*+1;;/p-4