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

Systemtic Name: (E)-19,20-bis(oxidanyl)-19-(1-oxidanyl-2-oxidanylidene-heptadecyl)octatriacont-9-ene-18,21-dione Openeye Name: (E)-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)-9-octatriacontene-18,21-dione IUPAC Name: (E)-19,20-dihydroxy-19-(1-hydroxy-2-oxoheptadecyl)octatriacont-9-ene-18,21-dione Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxy-2-keto-heptadecyl)octatriacont-9-ene-18,21-dione Formula: C55H104O6 MolecularWeight: 861.41066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-51(57)54(60)55(61,52(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)53(59)50(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h26,28,53-54,59-61H,4-25,27,29-49H2,1-3H3/b28-26+