[(E)-3-methyl-2-(methylamino)-1-phenyl-but-1-enyl]-triphenyl-phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [(E)-3-methyl-2-(methylamino)-1-phenyl-but-1-enyl]-triphenyl-phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: [(E)-3-methyl-2-(methylamino)-1-phenyl-but-1-enyl]-triphenyl-phosphonium; trifluoromethanesulfonate CAS Name: [(E)-3-methyl-2-(methylamino)-1-phenylbut-1-enyl]-triphenylphosphonium; trifluoromethanesulfonate IUPAC Name: [(E)-3-methyl-2-(methylamino)-1-phenylbut-1-enyl]-triphenylphosphanium; trifluoromethanesulfonate Traditional Name: [(E)-3-methyl-2-(methylamino)-1-phenyl-but-1-enyl]-triphenyl-phosphonium triflate Formula: C31H31F3NO3PS MolecularWeight: 585.616711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)/C(=C(/C1=CC=CC=C1)\[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/NC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H31NP.CHF3O3S/c1-24(2)29(31-3)30(25-16-8-4-9-17-25)32(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28;2-1(3,4)8(5,6)7/h4-24,31H,1-3H3;(H,5,6,7)/q+1;/p-1/b30-29+;