2,6-bis(fluoranyl)-4-methyl-benzenesulfonate; tris(4-fluorophenyl)sulfanium

Systemtic Name: 2,6-bis(fluoranyl)-4-methyl-benzenesulfonate; tris(4-fluorophenyl)sulfanium Openeye Name: 2,6-difluoro-4-methyl-benzenesulfonate; tris(4-fluorophenyl)sulfonium CAS Name: 2,6-difluoro-4-methylbenzenesulfonate; tris(4-fluorophenyl)sulfonium IUPAC Name: 2,6-difluoro-4-methylbenzenesulfonate; tris(4-fluorophenyl)sulfanium Traditional Name: 2,6-difluoro-4-methyl-besylate; tris(4-fluorophenyl)sulfonium Formula: C25H17F5O3S2 MolecularWeight: 524.522696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)F)S(=O)(=O)[O-])F.C1=CC(=CC=C1F)[S+](C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C(=C1)F)S(=O)(=O)[O-])F.C1=CC(=CC=C1F)[S+](C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H12F3S.C7H6F2O3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-4-2-5(8)7(6(9)3-4)13(10,11)12/h1-12H;2-3H,1H3,(H,10,11,12)/q+1;/p-1