2-trioctadecylphosphaniumylethanoate

Systemtic Name: 2-trioctadecylphosphaniumylethanoate Openeye Name: 2-trioctadecylphosphaniumylacetate CAS Name: 2-trioctadecylphosphiniumylacetate IUPAC Name: 2-trioctadecylphosphaniumylacetate Traditional Name: 2-tristearylphosphiniumylacetate Formula: C56H113O2P MolecularWeight: 849.468981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC(=O)[O-]

InChI

InChI=1S/C56H113O2P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-59(55-56(57)58,53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-55H2,1-3H3