ethanoic acid; tris(4-methylphenyl)-(phenylmethyl)phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(4-methylphenyl)-(phenylmethyl)phosphanium; ethanoate Openeye Name: acetic acid; benzyl(tris-p-tolyl)phosphonium; acetate CAS Name: acetic acid; tris(4-methylphenyl)-(phenylmethyl)phosphonium; acetate IUPAC Name: acetic acid; benzyl-tris(4-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; benzyl(tris-p-tolyl)phosphonium; acetate Formula: C32H35O4P MolecularWeight: 514.591661

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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.CC(=O)O.CC(=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.CC(=O)O.CC(=O)[O-]

InChI

InChI=1S/C28H28P.2C2H4O2/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;2*1-2(3)4/h4-20H,21H2,1-3H3;2*1H3,(H,3,4)/q+1;;/p-1