ethanoic acid; tris(3-methylphenyl)-(phenylmethyl)phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(3-methylphenyl)-(phenylmethyl)phosphanium; ethanoate Openeye Name: acetic acid; benzyl(tris-m-tolyl)phosphonium; acetate CAS Name: acetic acid; tris(3-methylphenyl)-(phenylmethyl)phosphonium; acetate IUPAC Name: acetic acid; benzyl-tris(3-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; benzyl(tris-m-tolyl)phosphonium; acetate Formula: C32H35O4P MolecularWeight: 514.591661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28P.2C2H4O2/c1-22-10-7-15-26(18-22)29(21-25-13-5-4-6-14-25,27-16-8-11-23(2)19-27)28-17-9-12-24(3)20-28;2*1-2(3)4/h4-20H,21H2,1-3H3;2*1H3,(H,3,4)/q+1;;/p-1