2-oxidanylideneheptadecan-8-yl 9-[(E)-octadec-9-enoyl]oxyoctadecanoate

Systemtic Name: 2-oxidanylideneheptadecan-8-yl 9-[(E)-octadec-9-enoyl]oxyoctadecanoate Openeye Name: 1-(6-oxoheptyl)decyl 9-[(E)-octadec-9-enoyl]oxyoctadecanoate CAS Name: 9-[(E)-1-oxooctadec-9-enoxy]octadecanoic acid 2-oxoheptadecan-8-yl ester IUPAC Name: 2-oxoheptadecan-8-yl 9-[(E)-octadec-9-enoyl]oxyoctadecanoate Traditional Name: 9-[(E)-octadec-9-enoyl]oxystearic acid 1-(6-ketoheptyl)decyl ester Formula: C53H100O5 MolecularWeight: 817.3581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCC(=O)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C53H100O5/c1-5-8-11-14-17-18-19-20-21-22-23-24-27-32-40-47-52(55)57-50(43-36-29-25-15-12-9-6-2)45-38-31-28-33-41-48-53(56)58-51(46-39-34-35-42-49(4)54)44-37-30-26-16-13-10-7-3/h20-21,50-51H,5-19,22-48H2,1-4H3/b21-20+