trisodium 10-phosphonatooxyoctadecanoate

Systemtic Name: trisodium 10-phosphonatooxyoctadecanoate Openeye Name: trisodium 10-phosphonatooxyoctadecanoate CAS Name: trisodium 10-phosphonatooxyoctadecanoate IUPAC Name: trisodium 10-phosphonatooxyoctadecanoate Traditional Name: trisodium 10-phosphatostearate Formula: C18H34Na3O6P MolecularWeight: 446.402031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H37O6P.3Na/c1-2-3-4-5-8-11-14-17(24-25(21,22)23)15-12-9-6-7-10-13-16-18(19)20;;;/h17H,2-16H2,1H3,(H,19,20)(H2,21,22,23);;;/q;3*+1/p-3