[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxy-propyl] octadecanoate

Systemtic Name: [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxy-propyl] octadecanoate Openeye Name: [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxy-propyl] octadecanoate CAS Name: octadecanoic acid [2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]-3-phosphonooxypropyl] ester IUPAC Name: [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] octadecanoate Traditional Name: stearic acid [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxy-propyl] ester Formula: C39H73O8P MolecularWeight: 700.965881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C39H73O8P/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/h12,14,18,20,37H,3-11,13,15-17,19,21-36H2,1-2H3,(H2,42,43,44)/b14-12-,20-18-