ethanoic acid; tris(3-methylphenyl)-[(4-methylphenyl)methyl]phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(3-methylphenyl)-[(4-methylphenyl)methyl]phosphanium; ethanoate Openeye Name: acetic acid; tris-m-tolyl(p-tolylmethyl)phosphonium; acetate CAS Name: acetic acid; tris(3-methylphenyl)-[(4-methylphenyl)methyl]phosphonium; acetate IUPAC Name: acetic acid; tris(3-methylphenyl)-[(4-methylphenyl)methyl]phosphanium; acetate Traditional Name: acetic acid; (4-methylbenzyl)-tris(m-tolyl)phosphonium; acetate Formula: C33H37O4P MolecularWeight: 528.618241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30P.2C2H4O2/c1-22-14-16-26(17-15-22)21-30(27-11-5-8-23(2)18-27,28-12-6-9-24(3)19-28)29-13-7-10-25(4)20-29;2*1-2(3)4/h5-20H,21H2,1-4H3;2*1H3,(H,3,4)/q+1;;/p-1