[2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinyl-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinyl-propyl] (E)-octadec-9-enoate Openeye Name: [2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinyl-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(Z)-1-oxooctadec-9-enoxy]-3-tetradecylsulfinylpropyl] ester IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinylpropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-myristylsulfinyl-2-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C53H100O5S MolecularWeight: 849.4231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)CC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)CC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C53H100O5S/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(54)57-49-51(50-59(56)48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25+,28-26-