(1-hexadecanoyloxy-3-phosphonooxy-propan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Systemtic Name: (1-hexadecanoyloxy-3-phosphonooxy-propan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Openeye Name: [1-(hexadecanoyloxymethyl)-2-phosphonooxy-ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [1-(1-oxohexadecoxy)-3-phosphonooxypropan-2-yl] ester IUPAC Name: (1-hexadecanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Traditional Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [1-(hexadecanoyloxymethyl)-2-phosphonooxy-ethyl] ester Formula: C37H67O8P MolecularWeight: 670.896841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

InChI

InChI=1S/C37H67O8P/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/h5,7,11,13,17-18,35H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H2,40,41,42)/b7-5-,13-11-,18-17-