3-oxidanyl-4-oxidanylidene-4-[(E)-18-oxidanylidene-17-pentadecyl-pentatriacont-26-en-17-yl]oxy-butanoic acid

Systemtic Name: 3-oxidanyl-4-oxidanylidene-4-[(E)-18-oxidanylidene-17-pentadecyl-pentatriacont-26-en-17-yl]oxy-butanoic acid Openeye Name: 4-[(E)-1-hexadecyl-2-oxo-1-pentadecyl-nonadec-10-enoxy]-3-hydroxy-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-oxo-4-[(E)-18-oxo-17-pentadecylpentatriacont-26-en-17-yl]oxybutanoic acid IUPAC Name: 3-hydroxy-4-oxo-4-[(E)-18-oxo-17-pentadecylpentatriacont-26-en-17-yl]oxybutanoic acid Traditional Name: 4-[(E)-1-cetyl-2-keto-1-pentadecyl-nonadec-10-enoxy]-3-hydroxy-4-keto-butyric acid Formula: C54H102O6 MolecularWeight: 847.38408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(C(=O)CCCCCCCC=CCCCCCCCC)OC(=O)C(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(C(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)C(CC(=O)O)O

InChI

InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-27-28-31-34-37-40-43-46-51(56)54(60-53(59)50(55)49-52(57)58,47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,27,50,55H,4-24,26,28-49H2,1-3H3,(H,57,58)/b27-25+