(E)-2-docosyl-39-nonadecan-2-yloxy-3-oxidanyl-39-oxidanylidene-nonatriacont-20-enoic acid

Systemtic Name: (E)-2-docosyl-39-nonadecan-2-yloxy-3-oxidanyl-39-oxidanylidene-nonatriacont-20-enoic acid Openeye Name: (E)-2-docosyl-3-hydroxy-39-(1-methyloctadecoxy)-39-oxo-nonatriacont-20-enoic acid CAS Name: (E)-2-docosyl-3-hydroxy-39-nonadecan-2-yloxy-39-oxo-20-nonatriacontenoic acid IUPAC Name: (E)-2-docosyl-3-hydroxy-39-nonadecan-2-yloxy-39-oxononatriacont-20-enoic acid Traditional Name: (E)-2-behenyl-3-hydroxy-39-keto-39-(1-methyloctadecoxy)nonatriacont-20-enoic acid Formula: C80H156O5 MolecularWeight: 1198.09164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCCCCCC)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCCCCCC)O)C(=O)O

InChI

InChI=1S/C80H156O5/c1-4-6-8-10-12-14-16-18-20-21-22-38-41-45-49-53-57-61-65-69-73-77(80(83)84)78(81)74-70-66-62-58-54-50-46-42-39-36-34-32-30-28-26-24-23-25-27-29-31-33-35-37-40-43-47-51-55-59-63-67-71-75-79(82)85-76(3)72-68-64-60-56-52-48-44-19-17-15-13-11-9-7-5-2/h23-24,76-78,81H,4-22,25-75H2,1-3H3,(H,83,84)/b24-23+