1,1,1,2,3,3,3-heptadeuteriopropan-2-yl(triphenyl)phosphanium; methanesulfonate

Systemtic Name: 1,1,1,2,3,3,3-heptadeuteriopropan-2-yl(triphenyl)phosphanium; methanesulfonate Openeye Name: methanesulfonate; triphenyl-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]phosphonium CAS Name: 1,1,1,2,3,3,3-heptadeuteriopropan-2-yl(triphenyl)phosphonium; methanesulfonate IUPAC Name: 1,1,1,2,3,3,3-heptadeuteriopropan-2-yl(triphenyl)phosphanium; methanesulfonate Traditional Name: triphenyl-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]phosphonium mesylate Formula: C22H25O3PS MolecularWeight: 407.513993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H22P.CH4O3S/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-5(2,3)4/h3-18H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/i1D3,2D3,18D;