tris(4-methylphenyl)-(phenylmethyl)phosphanium phosphate

Systemtic Name: tris(4-methylphenyl)-(phenylmethyl)phosphanium phosphate Openeye Name: benzyl(tris-p-tolyl)phosphonium phosphate CAS Name: tris(4-methylphenyl)-(phenylmethyl)phosphonium phosphate IUPAC Name: benzyl-tris(4-methylphenyl)phosphanium phosphate Traditional Name: benzyl(tris-p-tolyl)phosphonium phosphate Formula: C28H28O4P2-2 MolecularWeight: 490.467042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C28H28P.H3O4P/c1-22-9-15-26(16-10-22)29(21-25-7-5-4-6-8-25,27-17-11-23(2)12-18-27)28-19-13-24(3)14-20-28;1-5(2,3)4/h4-20H,21H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3