4-[20-[(E)-hexadec-7-enyl]-19-oxidanyl-octatriacontan-19-yl]oxy-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[20-[(E)-hexadec-7-enyl]-19-oxidanyl-octatriacontan-19-yl]oxy-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(E)-hexadec-7-enyl]-1-hydroxy-1-octadecyl-icosoxy]-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[20-[(E)-hexadec-7-enyl]-19-hydroxyoctatriacontan-19-yl]oxy-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[20-[(E)-hexadec-7-enyl]-19-hydroxyoctatriacontan-19-yl]oxy-3-hydroxy-4-oxobutanoic acid Traditional Name: 3-hydroxy-4-[(E)-1-hydroxy-1,2-distearyl-octadec-9-enoxy]-4-keto-butyric acid Formula: C58H112O6 MolecularWeight: 905.50628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCC=CCCCCCCCC)C(CCCCCCCCCCCCCCCCCC)(O)OC(=O)C(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCC/C=C/CCCCCCCC)C(CCCCCCCCCCCCCCCCCC)(O)OC(=O)C(CC(=O)O)O

InChI

InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54(50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)58(63,64-57(62)55(59)53-56(60)61)52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h27,32,54-55,59,63H,4-26,28-31,33-53H2,1-3H3,(H,60,61)/b32-27+