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

Systemtic Name: sodium [1-octadecylsulfanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propan-2-yl] hexadecanoate Openeye Name: sodium [1-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-2-octadecylsulfanyl-ethyl] hexadecanoate CAS Name: sodium hexadecanoic acid [1-[hydroxy(phosphonooxy)phosphoryl]oxy-3-(octadecylthio)propan-2-yl] ester IUPAC Name: sodium [1-[hydroxy(phosphonooxy)phosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate Traditional Name: sodium palmitic acid [1-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-2-(stearylthio)ethyl] ester Formula: C37H76NaO9P2S+ MolecularWeight: 781.996232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C37H76O9P2S.Na/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);/q;+1