2-heptan-3-yl-1,3-dioxane-5,5-dicarboxylic acid

Systemtic Name: 2-heptan-3-yl-1,3-dioxane-5,5-dicarboxylic acid Openeye Name: 2-(1-ethylpentyl)-1,3-dioxane-5,5-dicarboxylic acid CAS Name: 2-heptan-3-yl-1,3-dioxane-5,5-dicarboxylic acid IUPAC Name: 2-heptan-3-yl-1,3-dioxane-5,5-dicarboxylic acid Traditional Name: 2-(1-ethylpentyl)-1,3-dioxane-5,5-dicarboxylic acid Formula: C13H22O6 MolecularWeight: 274.31018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1OCC(CO1)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)C1OCC(CO1)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H22O6/c1-3-5-6-9(4-2)10-18-7-13(8-19-10,11(14)15)12(16)17/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17)