(E)-17-[1,2-bis(oxidanyl)ethyl]-17-hexadecanoyl-pentatriacont-26-ene-16,18-dione

Systemtic Name: (E)-17-[1,2-bis(oxidanyl)ethyl]-17-hexadecanoyl-pentatriacont-26-ene-16,18-dione Openeye Name: (E)-17-(1,2-dihydroxyethyl)-17-hexadecanoyl-pentatriacont-26-ene-16,18-dione CAS Name: (E)-17-(1,2-dihydroxyethyl)-17-(1-oxohexadecyl)-26-pentatriacontene-16,18-dione IUPAC Name: (E)-17-(1,2-dihydroxyethyl)-17-hexadecanoylpentatriacont-26-ene-16,18-dione Traditional Name: (E)-17-(1,2-dihydroxyethyl)-17-hexadecanoyl-pentatriacont-26-ene-16,18-dione Formula: C53H100O5 MolecularWeight: 817.3581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(CO)O)(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(CO)O)(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-51(57)53(52(58)48-54,49(55)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)50(56)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,52,54,58H,4-24,27-48H2,1-3H3/b26-25+