dohexacontyl (E)-octadec-9-enoate

Systemtic Name: dohexacontyl (E)-octadec-9-enoate Openeye Name: dohexacontyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid dohexacontyl ester IUPAC Name: dohexacontyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid dohexacontyl ester Formula: C80H158O2 MolecularWeight: 1152.10932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C80H158O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-65-67-69-71-73-75-77-79-82-80(81)78-76-74-72-70-68-66-64-18-16-14-12-10-8-6-4-2/h18,64H,3-17,19-63,65-79H2,1-2H3/b64-18+