[2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxy-propyl] (E)-octadec-9-enoate; sodium

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxy-propyl] (E)-octadec-9-enoate; sodium Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxy-propyl] (E)-octadec-9-enoate; sodium CAS Name: (E)-9-octadecenoic acid [2-[(E)-1-oxooctadec-9-enoxy]-3-phosphonooxypropyl] ester; sodium IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] (E)-octadec-9-enoate; sodium Traditional Name: (E)-octadec-9-enoic acid [2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxy-propyl] ester; sodium Formula: C39H73NaO8P MolecularWeight: 723.955651

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Na]

InChI

InChI=1S/C39H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44);/b19-17+,20-18+;