(21E,36Z)-2-docosyl-3-oxidanyl-pentapentaconta-21,36-dienoic acid

Systemtic Name: (21E,36Z)-2-docosyl-3-oxidanyl-pentapentaconta-21,36-dienoic acid Openeye Name: (21E,36Z)-2-docosyl-3-hydroxy-pentapentaconta-21,36-dienoic acid CAS Name: (21E,36Z)-2-docosyl-3-hydroxypentapentaconta-21,36-dienoic acid IUPAC Name: (21E,36Z)-2-docosyl-3-hydroxypentapentaconta-21,36-dienoic acid Traditional Name: (21E,36Z)-2-behenyl-3-hydroxy-pentapentaconta-21,36-dienoic acid Formula: C77H150O3 MolecularWeight: 1124.0131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCC)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)O)C(=O)O

InChI

InChI=1S/C77H150O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-56-58-60-62-64-66-68-70-72-74-76(78)75(77(79)80)73-71-69-67-65-63-61-59-57-55-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,46-47,75-76,78H,3-30,33-45,48-74H2,1-2H3,(H,79,80)/b32-31-,47-46+