5-octadecoxy-3-octadecoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-octadecoxy-3-octadecoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-hydroxy-5-octadecoxy-3-octadecoxycarbonyl-5-oxo-pentanoic acid CAS Name: 3-hydroxy-5-octadecoxy-3-[octadecoxy(oxo)methyl]-5-oxopentanoic acid IUPAC Name: 3-hydroxy-5-octadecoxy-3-octadecoxycarbonyl-5-oxopentanoic acid Traditional Name: 3-hydroxy-5-keto-5-stearyloxy-3-stearyloxycarbonyl-valeric acid Formula: C42H80O7 MolecularWeight: 697.0804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-40(45)38-42(47,37-39(43)44)41(46)49-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47H,3-38H2,1-2H3,(H,43,44)