(9E,12E)-octadeca-9,12-dienoic acid; 22-oxidanyldocosanoic acid

Systemtic Name: (9E,12E)-octadeca-9,12-dienoic acid; 22-oxidanyldocosanoic acid Openeye Name: 22-hydroxydocosanoic acid; (9E,12E)-octadeca-9,12-dienoic acid CAS Name: 22-hydroxydocosanoic acid; (9E,12E)-octadeca-9,12-dienoic acid IUPAC Name: 22-hydroxydocosanoic acid; (9E,12E)-octadeca-9,12-dienoic acid Traditional Name: 22-hydroxybehenic acid; (9E,12E)-octadeca-9,12-dienoic acid Formula: C40H76O5 MolecularWeight: 637.02844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO

InChI

InChI=1S/C22H44O3.C18H32O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h23H,1-21H2,(H,24,25);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b;7-6+,10-9+