sodium 2,3-bis(oxidanyl)propyl [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate

Systemtic Name: sodium 2,3-bis(oxidanyl)propyl [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate Openeye Name: sodium 2,3-dihydroxypropyl [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate CAS Name: sodium 2,3-dihydroxypropyl [3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] phosphate IUPAC Name: sodium 2,3-dihydroxypropyl [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate Traditional Name: sodium glyceryl [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate Formula: C40H76NaO10P MolecularWeight: 770.988971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]

InChI

InChI=1S/C40H77O10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);/q;+1/p-1/b18-17-;