27-[(E)-octadec-9-enoyl]oxyheptacosanoic acid

Systemtic Name: 27-[(E)-octadec-9-enoyl]oxyheptacosanoic acid Openeye Name: 27-[(E)-octadec-9-enoyl]oxyheptacosanoic acid CAS Name: 27-[(E)-1-oxooctadec-9-enoxy]heptacosanoic acid IUPAC Name: 27-[(E)-octadec-9-enoyl]oxyheptacosanoic acid Traditional Name: 27-[(E)-octadec-9-enoyl]oxyheptacosanoic acid Formula: C45H86O4 MolecularWeight: 691.16194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C45H86O4/c1-2-3-4-5-6-7-8-9-20-24-27-30-33-36-39-42-45(48)49-43-40-37-34-31-28-25-22-19-17-15-13-11-10-12-14-16-18-21-23-26-29-32-35-38-41-44(46)47/h9,20H,2-8,10-19,21-43H2,1H3,(H,46,47)/b20-9+