(2-octadecanoyloxy-3-octadecylsulfanyl-propyl) octadecanoate

Systemtic Name: (2-octadecanoyloxy-3-octadecylsulfanyl-propyl) octadecanoate Openeye Name: (2-octadecanoyloxy-3-octadecylsulfanyl-propyl) octadecanoate CAS Name: octadecanoic acid [3-(octadecylthio)-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: (2-octadecanoyloxy-3-octadecylsulfanylpropyl) octadecanoate Traditional Name: stearic acid [2-stearoyloxy-3-(stearylthio)propyl] ester Formula: C57H112O4S MolecularWeight: 893.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C57H112O4S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-62-54-55(61-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-60-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3