trisodium 1-octadecoxyoctadecane phosphate

Systemtic Name: trisodium 1-octadecoxyoctadecane phosphate Openeye Name: trisodium 1-octadecoxyoctadecane phosphate CAS Name: trisodium 1-octadecoxyoctadecane phosphate IUPAC Name: trisodium 1-octadecoxyoctadecane phosphate Traditional Name: trisodium 1-stearyloxyoctadecane phosphate Formula: C108H222Na3O7P MolecularWeight: 1732.857151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C36H74O.3Na.H3O4P/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;1-5(2,3)4/h3*3-36H2,1-2H3;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3