2-hexyl-5-methyl-1,3-dioxane-5-carboxylate

Systemtic Name: 2-hexyl-5-methyl-1,3-dioxane-5-carboxylate Openeye Name: 2-hexyl-5-methyl-1,3-dioxane-5-carboxylate CAS Name: 2-hexyl-5-methyl-1,3-dioxane-5-carboxylate IUPAC Name: 2-hexyl-5-methyl-1,3-dioxane-5-carboxylate Traditional Name: 2-hexyl-5-methyl-1,3-dioxane-5-carboxylate Formula: C12H21O4- MolecularWeight: 229.29274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1OCC(CO1)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCC1OCC(CO1)(C)C(=O)[O-]

InChI

InChI=1S/C12H22O4/c1-3-4-5-6-7-10-15-8-12(2,9-16-10)11(13)14/h10H,3-9H2,1-2H3,(H,13,14)/p-1