[3-[(E)-hept-1-enyl]sulfanyl-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[(E)-hept-1-enyl]sulfanyl-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[(E)-hept-1-enyl]sulfanyl-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[[(E)-hept-1-enyl]thio]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[(E)-hept-1-enyl]sulfanyl-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[[(E)-hept-1-enyl]thio]-2-stearoyloxy-propyl] ester Formula: C46H88O4S MolecularWeight: 737.25352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CSC=CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CS/C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H88O4S/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-36-39-45(47)49-42-44(43-51-41-38-35-12-9-6-3)50-46(48)40-37-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h38,41,44H,4-37,39-40,42-43H2,1-3H3/b41-38+