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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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