2-hexyl-1,3-dioxane-5,5-dicarboxylic acid

Systemtic Name: 2-hexyl-1,3-dioxane-5,5-dicarboxylic acid Openeye Name: 2-hexyl-1,3-dioxane-5,5-dicarboxylic acid CAS Name: 2-hexyl-1,3-dioxane-5,5-dicarboxylic acid IUPAC Name: 2-hexyl-1,3-dioxane-5,5-dicarboxylic acid Traditional Name: 2-hexyl-1,3-dioxane-5,5-dicarboxylic acid Formula: C12H20O6 MolecularWeight: 260.2836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1OCC(CO1)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1OCC(CO1)(C(=O)O)C(=O)O

InChI

InChI=1S/C12H20O6/c1-2-3-4-5-6-9-17-7-12(8-18-9,10(13)14)11(15)16/h9H,2-8H2,1H3,(H,13,14)(H,15,16)