3-acetyloxycarbonyl-3-oxidanyl-5-oxidanylidene-5-tridecoxy-pentanoic acid

Systemtic Name: 3-acetyloxycarbonyl-3-oxidanyl-5-oxidanylidene-5-tridecoxy-pentanoic acid Openeye Name: 3-acetoxycarbonyl-3-hydroxy-5-oxo-5-tridecoxy-pentanoic acid CAS Name: 3-[acetyloxy(oxo)methyl]-3-hydroxy-5-oxo-5-tridecoxypentanoic acid IUPAC Name: 3-acetyloxycarbonyl-3-hydroxy-5-oxo-5-tridecoxypentanoic acid Traditional Name: 3-acetoxycarbonyl-3-hydroxy-5-keto-5-tridecoxy-valeric acid Formula: C21H36O8 MolecularWeight: 416.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OC(=O)C)O

InChI

InChI=1S/C21H36O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-28-19(25)16-21(27,15-18(23)24)20(26)29-17(2)22/h27H,3-16H2,1-2H3,(H,23,24)