[3-[(E)-4-cyanobut-2-enyl]phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-[(E)-4-cyanobut-2-enyl]phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-[(E)-4-cyanobut-2-enyl]phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-[(E)-4-cyanobut-2-enyl]phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-[(E)-4-cyanobut-2-enyl]phenyl]methyl-triphenylphosphanium chloride Traditional Name: [3-[(E)-4-cyanobut-2-enyl]benzyl]-triphenyl-phosphonium chloride Formula: C30H27ClNP MolecularWeight: 467.968841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=CC(=C2)CC=CCC#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=CC(=C2)C/C=C/CC#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H27NP.ClH/c31-23-12-4-5-14-26-15-13-16-27(24-26)25-32(28-17-6-1-7-18-28,29-19-8-2-9-20-29)30-21-10-3-11-22-30;/h1-11,13,15-22,24H,12,14,25H2;1H/q+1;/p-1/b5-4+;