(3-cyanophenyl)-[(4-methylphenyl)methyl]-diphenyl-phosphanium chloride

Systemtic Name: (3-cyanophenyl)-[(4-methylphenyl)methyl]-diphenyl-phosphanium chloride Openeye Name: (3-cyanophenyl)-diphenyl-(p-tolylmethyl)phosphonium chloride CAS Name: (3-cyanophenyl)-[(4-methylphenyl)methyl]-diphenylphosphonium chloride IUPAC Name: (3-cyanophenyl)-[(4-methylphenyl)methyl]-diphenylphosphanium chloride Traditional Name: (3-cyanophenyl)-(4-methylbenzyl)-diphenyl-phosphonium chloride Formula: C27H23ClNP MolecularWeight: 427.904981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC(=C4)C#N.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC(=C4)C#N.[Cl-]

InChI

InChI=1S/C27H23NP.ClH/c1-22-15-17-23(18-16-22)21-29(25-10-4-2-5-11-25,26-12-6-3-7-13-26)27-14-8-9-24(19-27)20-28;/h2-19H,21H2,1H3;1H/q+1;/p-1