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

Systemtic Name: ethanoic acid; ethyl-tris(3-methylphenyl)phosphanium; ethanoate Openeye Name: acetic acid; ethyl(tris-m-tolyl)phosphonium; acetate CAS Name: acetic acid; ethyl-tris(3-methylphenyl)phosphonium; acetate IUPAC Name: acetic acid; ethyl-tris(3-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; ethyl(tris-m-tolyl)phosphonium; acetate Formula: C27H33O4P MolecularWeight: 452.522281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26P.2C2H4O2/c1-5-24(21-12-6-9-18(2)15-21,22-13-7-10-19(3)16-22)23-14-8-11-20(4)17-23;2*1-2(3)4/h6-17H,5H2,1-4H3;2*1H3,(H,3,4)/q+1;;/p-1