1,3-dithian-2-yl-methyl-methylsulfanyl-phenyl-phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,3-dithian-2-yl-methyl-methylsulfanyl-phenyl-phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: 1,3-dithian-2-yl-methyl-methylsulfanyl-phenyl-phosphonium; trifluoromethanesulfonate CAS Name: 1,3-dithian-2-yl-methyl-(methylthio)-phenylphosphonium; trifluoromethanesulfonate IUPAC Name: 1,3-dithian-2-yl-methyl-methylsulfanyl-phenylphosphanium; trifluoromethanesulfonate Traditional Name: 1,3-dithian-2-yl-methyl-(methylthio)-phenyl-phosphonium triflate Formula: C13H18F3O3PS4 MolecularWeight: 438.509191

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Descriptors Computed from Structure

Canonical SMILES:

C[P+](C1SCCCS1)(C2=CC=CC=C2)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[P+](C1SCCCS1)(C2=CC=CC=C2)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H18PS3.CHF3O3S/c1-13(14-2,11-7-4-3-5-8-11)12-15-9-6-10-16-12;2-1(3,4)8(5,6)7/h3-5,7-8,12H,6,9-10H2,1-2H3;(H,5,6,7)/q+1;/p-1