butane; triphenyl(phosphonomethyl)phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: butane; triphenyl(phosphonomethyl)phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: butane; trifluoromethanesulfonate; triphenyl(phosphonomethyl)phosphonium CAS Name: butane; trifluoromethanesulfonate; triphenyl(phosphonomethyl)phosphonium IUPAC Name: butane; trifluoromethanesulfonate; triphenyl(phosphonomethyl)phosphanium Traditional Name: n-butane; triphenyl(phosphonomethyl)phosphonium; triflate Formula: C24H29F3O6P2S MolecularWeight: 564.491192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C(C=C1)[P+](CP(=O)(O)O)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC.C1=CC=C(C=C1)[P+](CP(=O)(O)O)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H18O3P2.C4H10.CHF3O3S/c20-24(21,22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-3-4-2;2-1(3,4)8(5,6)7/h1-15H,16H2,(H-,20,21,22);3-4H2,1-2H3;(H,5,6,7)