ethanoic acid; tris(2-methylphenyl)-(phenylmethyl)phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(2-methylphenyl)-(phenylmethyl)phosphanium; ethanoate Openeye Name: acetic acid; benzyl(tris-o-tolyl)phosphonium; acetate CAS Name: acetic acid; tris(2-methylphenyl)-(phenylmethyl)phosphonium; acetate IUPAC Name: acetic acid; benzyl-tris(2-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; benzyl(tris-o-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=C3C)C4=CC=CC=C4C.CC(=O)O.CC(=O)[O-]

Isomeric SMILES

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

InChI

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