[1-octadecylsulfanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propan-2-yl] hexadecanoate

Systemtic Name: [1-octadecylsulfanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propan-2-yl] hexadecanoate Openeye Name: [1-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-2-octadecylsulfanyl-ethyl] hexadecanoate CAS Name: hexadecanoic acid [1-[hydroxy(phosphonooxy)phosphoryl]oxy-3-(octadecylthio)propan-2-yl] ester IUPAC Name: [1-[hydroxy(phosphonooxy)phosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-2-(stearylthio)ethyl] ester Formula: C37H76O9P2S MolecularWeight: 759.006462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C37H76O9P2S/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-49-35-36(34-44-48(42,43)46-47(39,40)41)45-37(38)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H,42,43)(H2,39,40,41)