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

Systemtic Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenyl-phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenyl-phosphonium; trifluoromethanesulfonate CAS Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-(methylthio)-phenylphosphonium; trifluoromethanesulfonate IUPAC Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-methylsulfanyl-phenylphosphanium; trifluoromethanesulfonate Traditional Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-(methylthio)-phenyl-phosphonium triflate Formula: C17H26F3O3PS4 MolecularWeight: 494.615511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26PS3.CHF3O3S/c1-16(2,3)13-11-19-15(20-12-13)17(4,18-5)14-9-7-6-8-10-14;2-1(3,4)8(5,6)7/h6-10,13,15H,11-12H2,1-5H3;(H,5,6,7)/q+1;/p-1