ethanoic acid; tris(2-methylphenyl)-[(4-methylphenyl)methyl]phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(2-methylphenyl)-[(4-methylphenyl)methyl]phosphanium; ethanoate Openeye Name: acetic acid; tris-o-tolyl(p-tolylmethyl)phosphonium; acetate CAS Name: acetic acid; tris(2-methylphenyl)-[(4-methylphenyl)methyl]phosphonium; acetate IUPAC Name: acetic acid; tris(2-methylphenyl)-[(4-methylphenyl)methyl]phosphanium; acetate Traditional Name: acetic acid; (4-methylbenzyl)-tris(o-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=C2C)(C3=CC=CC=C3C)C4=CC=CC=C4C.CC(=O)O.CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2C)(C3=CC=CC=C3C)C4=CC=CC=C4C.CC(=O)O.CC(=O)[O-]

InChI

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