4-[(E)-19-heptadecyl-18-oxidanylidene-heptatriacont-9-en-19-yl]oxy-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(E)-19-heptadecyl-18-oxidanylidene-heptatriacont-9-en-19-yl]oxy-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(E)-1-heptadecyl-1-octadecyl-2-oxo-nonadec-10-enoxy]-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[(E)-19-heptadecyl-18-oxoheptatriacont-9-en-19-yl]oxy-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[(E)-19-heptadecyl-18-oxoheptatriacont-9-en-19-yl]oxy-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[(E)-1-heptadecyl-2-keto-1-stearyl-nonadec-10-enoxy]-3-hydroxy-4-keto-butyric acid Formula: C58H110O6 MolecularWeight: 903.4904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(64-57(63)54(59)53-56(61)62,51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,54,59H,4-25,27-28,30-53H2,1-3H3,(H,61,62)/b29-26+