ethanoic acid; tris(4-methylphenyl)-(3-oxidanylpropyl)phosphanium; ethanoate

Systemtic Name: ethanoic acid; tris(4-methylphenyl)-(3-oxidanylpropyl)phosphanium; ethanoate Openeye Name: acetic acid; 3-hydroxypropyl(tris-p-tolyl)phosphonium; acetate CAS Name: acetic acid; 3-hydroxypropyl-tris(4-methylphenyl)phosphonium; acetate IUPAC Name: acetic acid; 3-hydroxypropyl-tris(4-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; 3-hydroxypropyl(tris-p-tolyl)phosphonium; acetate Formula: C28H35O5P MolecularWeight: 482.548261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28OP.2C2H4O2/c1-19-5-11-22(12-6-19)26(18-4-17-25,23-13-7-20(2)8-14-23)24-15-9-21(3)10-16-24;2*1-2(3)4/h5-16,25H,4,17-18H2,1-3H3;2*1H3,(H,3,4)/q+1;;/p-1