tris(2-methylphenyl)-(phenylmethyl)phosphanium phosphate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[P+](CC2=CC=CC=C2)(C3=CC=CC=C3C)C4=CC=CC=C4C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1[P+](CC2=CC=CC=C2)(C3=CC=CC=C3C)C4=CC=CC=C4C.[O-]P(=O)([O-])[O-]

InChI

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