(2-hexadecanoyloxy-3-hexadecylsulfanyl-propyl) hexadecanoate

Systemtic Name: (2-hexadecanoyloxy-3-hexadecylsulfanyl-propyl) hexadecanoate Openeye Name: (2-hexadecanoyloxy-3-hexadecylsulfanyl-propyl) hexadecanoate CAS Name: hexadecanoic acid [3-(hexadecylthio)-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: (2-hexadecanoyloxy-3-hexadecylsulfanylpropyl) hexadecanoate Traditional Name: palmitic acid [3-(cetylthio)-2-hexadecanoyloxy-propyl] ester Formula: C51H100O4S MolecularWeight: 809.4023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C51H100O4S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-56-48-49(55-51(53)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-54-50(52)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3