[(2S)-1-octadecoxy-3-phosphonooxy-propan-2-yl] hexadecanoate

Systemtic Name: [(2S)-1-octadecoxy-3-phosphonooxy-propan-2-yl] hexadecanoate Openeye Name: [(1S)-1-(octadecoxymethyl)-2-phosphonooxy-ethyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-1-octadecoxy-3-phosphonooxypropan-2-yl] ester IUPAC Name: [(2S)-1-octadecoxy-3-phosphonooxypropan-2-yl] hexadecanoate Traditional Name: palmitic acid [(1S)-1-(phosphonooxymethyl)-2-stearyloxy-ethyl] ester Formula: C37H75O7P MolecularWeight: 668.938587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCO[14CH2][14C@@H]([14CH2]OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C37H75O7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-42-34-36(35-43-45(39,40)41)44-37(38)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m0/s1/i34+2,35+2,36+2