(5,5-dimethyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenyl-phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (5,5-dimethyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenyl-phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: (5,5-dimethyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenyl-phosphonium; trifluoromethanesulfonate CAS Name: (5,5-dimethyl-1,3-dithian-2-yl)-methyl-(methylthio)-phenylphosphonium; trifluoromethanesulfonate IUPAC Name: (5,5-dimethyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenylphosphanium; trifluoromethanesulfonate Traditional Name: (5,5-dimethyl-1,3-dithian-2-yl)-methyl-(methylthio)-phenyl-phosphonium triflate Formula: C15H22F3O3PS4 MolecularWeight: 466.562351

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(SC1)[P+](C)(C2=CC=CC=C2)SC)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1(CSC(SC1)[P+](C)(C2=CC=CC=C2)SC)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H22PS3.CHF3O3S/c1-14(2)10-17-13(18-11-14)15(3,16-4)12-8-6-5-7-9-12;2-1(3,4)8(5,6)7/h5-9,13H,10-11H2,1-4H3;(H,5,6,7)/q+1;/p-1