di(propan-2-yl)-(triphenylphosphaniumylmethylidene)azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: di(propan-2-yl)-(triphenylphosphaniumylmethylidene)azanium; tris(fluoranyl)methanesulfonate Openeye Name: diisopropyl(triphenylphosphaniumylmethylene)ammonium; trifluoromethanesulfonate CAS Name: di(propan-2-yl)-(triphenylphosphiniumylmethylidene)ammonium; trifluoromethanesulfonate IUPAC Name: di(propan-2-yl)-(triphenylphosphaniumylmethylidene)azanium; trifluoromethanesulfonate Traditional Name: diisopropyl(triphenylphosphiniumylmethylene)ammonium ditriflate Formula: C27H30F6NO6PS2 MolecularWeight: 673.62438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30NP.2CHF3O3S/c1-21(2)26(22(3)4)20-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25;2*2-1(3,4)8(5,6)7/h5-22H,1-4H3;2*(H,5,6,7)/q+2;;/p-2