(5-tert-butyl-1,3-dithian-2-yl)-methylsulfanyl-diphenyl-phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (5-tert-butyl-1,3-dithian-2-yl)-methylsulfanyl-diphenyl-phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: (5-tert-butyl-1,3-dithian-2-yl)-methylsulfanyl-diphenyl-phosphonium; trifluoromethanesulfonate CAS Name: (5-tert-butyl-1,3-dithian-2-yl)-(methylthio)-diphenylphosphonium; trifluoromethanesulfonate IUPAC Name: (5-tert-butyl-1,3-dithian-2-yl)-methylsulfanyl-diphenylphosphanium; trifluoromethanesulfonate Traditional Name: (5-tert-butyl-1,3-dithian-2-yl)-(methylthio)-diphenyl-phosphonium triflate Formula: C22H28F3O3PS4 MolecularWeight: 556.684891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1CSC(SC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H28PS3.CHF3O3S/c1-21(2,3)17-15-24-20(25-16-17)22(23-4,18-11-7-5-8-12-18)19-13-9-6-10-14-19;2-1(3,4)8(5,6)7/h5-14,17,20H,15-16H2,1-4H3;(H,5,6,7)/q+1;/p-1