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

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]sulfanyl-propyl] (E)-octadec-9-enoate Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]sulfanyl-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(E)-1-oxooctadec-9-enoxy]-3-[[(Z)-1-oxooctadec-9-enyl]thio]propyl] ester IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]sulfanylpropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(E)-octadec-9-enoyl]oxy-3-[[(Z)-octadec-9-enoyl]thio]propyl] ester Formula: C57H104O5S MolecularWeight: 901.49766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CSC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CSC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H104O5S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)53-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27-