5-docosoxy-3-docosoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-docosoxy-3-docosoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-docosoxy-3-docosoxycarbonyl-3-hydroxy-5-oxo-pentanoic acid CAS Name: 5-docosoxy-3-[docosoxy(oxo)methyl]-3-hydroxy-5-oxopentanoic acid IUPAC Name: 5-docosoxy-3-docosoxycarbonyl-3-hydroxy-5-oxopentanoic acid Traditional Name: 5-behenyloxy-3-behenyloxycarbonyl-3-hydroxy-5-keto-valeric acid Formula: C50H96O7 MolecularWeight: 809.29304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56-48(53)46-50(55,45-47(51)52)49(54)57-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h55H,3-46H2,1-2H3,(H,51,52)