(5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) hydrogen carbonate

Systemtic Name: (5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) hydrogen carbonate Openeye Name: [5-carboxyoxy-2-(1-ethylpentyl)-1,3-dioxan-5-yl] hydrogen carbonate CAS Name: carbonic acid (5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) ester IUPAC Name: (5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) hydrogen carbonate Traditional Name: carbonic acid [5-carboxyoxy-2-(1-ethylpentyl)-1,3-dioxan-5-yl] ester Formula: C13H22O8 MolecularWeight: 306.30898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O8/c1-3-5-6-9(4-2)10-18-7-13(8-19-10,20-11(14)15)21-12(16)17/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17)