sodium 2,3-bis(oxidanyl)propyl (E)-octadec-9-enoate phosphate

Systemtic Name: sodium 2,3-bis(oxidanyl)propyl (E)-octadec-9-enoate phosphate Openeye Name: sodium 2,3-dihydroxypropyl (E)-octadec-9-enoate phosphate CAS Name: sodium (E)-9-octadecenoic acid 2,3-dihydroxypropyl ester phosphate IUPAC Name: sodium 2,3-dihydroxypropyl (E)-octadec-9-enoate phosphate Traditional Name: sodium (E)-octadec-9-enoic acid glyceryl ester phosphate Formula: C21H40NaO8P-2 MolecularWeight: 474.501031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.[O-]P(=O)([O-])[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O.[O-]P(=O)([O-])[O-].[Na+]

InChI

InChI=1S/C21H40O4.Na.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;;1-5(2,3)4/h9-10,20,22-23H,2-8,11-19H2,1H3;;(H3,1,2,3,4)/q;+1;/p-3/b10-9+;;