(E)-20-hexadecanoyl-19,20-bis(oxidanyl)-19-(1-oxidanyl-2-oxidanylidene-heptadecyl)octatriacont-9-ene-18,21-dione

Systemtic Name: (E)-20-hexadecanoyl-19,20-bis(oxidanyl)-19-(1-oxidanyl-2-oxidanylidene-heptadecyl)octatriacont-9-ene-18,21-dione Openeye Name: (E)-20-hexadecanoyl-19,20-dihydroxy-19-(1-hydroxy-2-oxo-heptadecyl)octatriacont-9-ene-18,21-dione CAS Name: (E)-19,20-dihydroxy-19-(1-hydroxy-2-oxoheptadecyl)-20-(1-oxohexadecyl)-9-octatriacontene-18,21-dione IUPAC Name: (E)-20-hexadecanoyl-19,20-dihydroxy-19-(1-hydroxy-2-oxoheptadecyl)octatriacont-9-ene-18,21-dione Traditional Name: (E)-20-hexadecanoyl-19,20-dihydroxy-19-(1-hydroxy-2-keto-heptadecyl)octatriacont-9-ene-18,21-dione Formula: C71H134O7 MolecularWeight: 1099.81946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCC)(C(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCC)(C(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCCCCCC/C=C/CCCCCCCC)O)O

InChI

InChI=1S/C71H134O7/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-67(74)70(77,66(73)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)71(78,68(75)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)69(76)65(72)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h34,36,69,76-78H,5-33,35,37-64H2,1-4H3/b36-34+