2-[12-[2,4-bis(oxidanyl)-4-oxidanylidene-butanoyl]oxy-1-oxidanyl-1-oxidanylidene-dodecan-2-yl]-5-oxidanylidene-oxolane-2-carboxylic acid

Systemtic Name: 2-[12-[2,4-bis(oxidanyl)-4-oxidanylidene-butanoyl]oxy-1-oxidanyl-1-oxidanylidene-dodecan-2-yl]-5-oxidanylidene-oxolane-2-carboxylic acid Openeye Name: 2-[1-carboxy-11-(2,4-dihydroxy-4-oxo-butanoyl)oxy-undecyl]-5-oxo-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[12-(2,4-dihydroxy-1,4-dioxobutoxy)-1-hydroxy-1-oxododecan-2-yl]-5-oxo-2-oxolanecarboxylic acid IUPAC Name: 2-[12-(2,4-dihydroxy-4-oxobutanoyl)oxy-1-hydroxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylic acid Traditional Name: 2-[1-carboxy-11-(2,4-dihydroxy-4-keto-butanoyl)oxy-undecyl]-5-keto-tetrahydrofuran-2-carboxylic acid Formula: C21H32O11 MolecularWeight: 460.47218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(C(CCCCCCCCCCOC(=O)C(CC(=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(OC1=O)(C(CCCCCCCCCCOC(=O)C(CC(=O)O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H32O11/c22-15(13-16(23)24)19(28)31-12-8-6-4-2-1-3-5-7-9-14(18(26)27)21(20(29)30)11-10-17(25)32-21/h14-15,22H,1-13H2,(H,23,24)(H,26,27)(H,29,30)