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

Systemtic Name: (E)-19,20-bis(oxidanyl)-19-(2-oxidanylideneheptadecyl)octatriacont-9-ene-18,21-dione Openeye Name: (E)-19,20-dihydroxy-19-(2-oxoheptadecyl)octatriacont-9-ene-18,21-dione CAS Name: (E)-19,20-dihydroxy-19-(2-oxoheptadecyl)-9-octatriacontene-18,21-dione IUPAC Name: (E)-19,20-dihydroxy-19-(2-oxoheptadecyl)octatriacont-9-ene-18,21-dione Traditional Name: (E)-19,20-dihydroxy-19-(2-ketoheptadecyl)octatriacont-9-ene-18,21-dione Formula: C55H104O5 MolecularWeight: 845.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-52(57)54(59)55(60,50-51(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)53(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,54,59-60H,4-25,27,29-50H2,1-3H3/b28-26+