ethanoic acid; tris(2-methylphenyl)-(3-oxidanylpropyl)phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(2-methylphenyl)-(3-oxidanylpropyl)phosphanium; ethanoate Openeye Name: acetic acid; 3-hydroxypropyl(tris-o-tolyl)phosphonium; acetate CAS Name: acetic acid; 3-hydroxypropyl-tris(2-methylphenyl)phosphonium; acetate IUPAC Name: acetic acid; 3-hydroxypropyl-tris(2-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; 3-hydroxypropyl(tris-o-tolyl)phosphonium; acetate Formula: C28H35O5P MolecularWeight: 482.548261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28OP.2C2H4O2/c1-19-11-4-7-14-22(19)26(18-10-17-25,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3;2*1-2(3)4/h4-9,11-16,25H,10,17-18H2,1-3H3;2*1H3,(H,3,4)/q+1;;/p-1