[(2R)-2-[8-[(1S,2R)-2-hexylcyclopropyl]octanoyloxy]-3-phosphonooxy-propyl] hexadecanoate

Systemtic Name: [(2R)-2-[8-[(1S,2R)-2-hexylcyclopropyl]octanoyloxy]-3-phosphonooxy-propyl] hexadecanoate Openeye Name: [(2R)-2-[8-[(1S,2R)-2-hexylcyclopropyl]octanoyloxy]-3-phosphonooxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-2-[8-[(1S,2R)-2-hexylcyclopropyl]-1-oxooctoxy]-3-phosphonooxypropyl] ester IUPAC Name: [(2R)-2-[8-[(1S,2R)-2-hexylcyclopropyl]octanoyloxy]-3-phosphonooxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-2-[8-[(1S,2R)-2-hexylcyclopropyl]octanoyloxy]-3-phosphonooxy-propyl] ester Formula: C36H69O8P MolecularWeight: 660.902021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC1CC1CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC

InChI

InChI=1S/C36H69O8P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-35(37)42-30-34(31-43-45(39,40)41)44-36(38)28-24-20-17-18-22-26-33-29-32(33)25-21-8-6-4-2/h32-34H,3-31H2,1-2H3,(H2,39,40,41)/t32-,33+,34-/m1/s1