22-[(9E,12E)-octadeca-9,12-dienoyl]oxydocosanoic acid

Systemtic Name: 22-[(9E,12E)-octadeca-9,12-dienoyl]oxydocosanoic acid Openeye Name: 22-[(9E,12E)-octadeca-9,12-dienoyl]oxydocosanoic acid CAS Name: 22-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]docosanoic acid IUPAC Name: 22-[(9E,12E)-octadeca-9,12-dienoyl]oxydocosanoic acid Traditional Name: 22-[(9E,12E)-octadeca-9,12-dienoyl]oxybehenic acid Formula: C40H74O4 MolecularWeight: 619.01316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C40H74O4/c1-2-3-4-5-6-7-8-9-15-19-22-25-28-31-34-37-40(43)44-38-35-32-29-26-23-20-17-14-12-10-11-13-16-18-21-24-27-30-33-36-39(41)42/h6-7,9,15H,2-5,8,10-14,16-38H2,1H3,(H,41,42)/b7-6+,15-9+