dimethyl 2-[13-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)tridecyl]propanedioate

Systemtic Name: dimethyl 2-[13-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)tridecyl]propanedioate Openeye Name: dimethyl 2-[13-(2-hydroxy-5-oxo-2H-furan-4-yl)tridecyl]propanedioate CAS Name: 2-[13-(2-hydroxy-5-oxo-2H-furan-4-yl)tridecyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[13-(2-hydroxy-5-oxo-2H-furan-4-yl)tridecyl]propanedioate Traditional Name: 2-[13-(2-hydroxy-5-keto-2H-furan-4-yl)tridecyl]malonic acid dimethyl ester Formula: C22H36O7 MolecularWeight: 412.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCCCCCCCCCCC1=CC(OC1=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C(CCCCCCCCCCCCCC1=CC(OC1=O)O)C(=O)OC

InChI

InChI=1S/C22H36O7/c1-27-21(25)18(22(26)28-2)15-13-11-9-7-5-3-4-6-8-10-12-14-17-16-19(23)29-20(17)24/h16,18-19,23H,3-15H2,1-2H3