(1-hexadecanoyloxy-3-phosphonooxy-propan-2-yl) (E)-octadec-9-enoate

Systemtic Name: (1-hexadecanoyloxy-3-phosphonooxy-propan-2-yl) (E)-octadec-9-enoate Openeye Name: [1-(hexadecanoyloxymethyl)-2-phosphonooxy-ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-(1-oxohexadecoxy)-3-phosphonooxypropan-2-yl] ester IUPAC Name: (1-hexadecanoyloxy-3-phosphonooxypropan-2-yl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [1-(hexadecanoyloxymethyl)-2-phosphonooxy-ethyl] ester Formula: C37H71O8P MolecularWeight: 674.928601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17+