5-ethyl-2-(2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)-1,3-dioxane-5-carboxylic acid

Systemtic Name: 5-ethyl-2-(2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)-1,3-dioxane-5-carboxylic acid Openeye Name: 5-ethyl-2-(3-hydroxy-1,1-dimethyl-3-oxo-propyl)-1,3-dioxane-5-carboxylic acid CAS Name: 5-ethyl-2-(4-hydroxy-2-methyl-4-oxobutan-2-yl)-1,3-dioxane-5-carboxylic acid IUPAC Name: 5-ethyl-2-(4-hydroxy-2-methyl-4-oxobutan-2-yl)-1,3-dioxane-5-carboxylic acid Traditional Name: 5-ethyl-2-(3-hydroxy-3-keto-1,1-dimethyl-propyl)-1,3-dioxane-5-carboxylic acid Formula: C12H20O6 MolecularWeight: 260.2836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)C(C)(C)CC(=O)O)C(=O)O

Isomeric SMILES

CCC1(COC(OC1)C(C)(C)CC(=O)O)C(=O)O

InChI

InChI=1S/C12H20O6/c1-4-12(9(15)16)6-17-10(18-7-12)11(2,3)5-8(13)14/h10H,4-7H2,1-3H3,(H,13,14)(H,15,16)