3-(carboxymethyl)-3-hexanoyloxy-pentanedioic acid

Systemtic Name: 3-(carboxymethyl)-3-hexanoyloxy-pentanedioic acid Openeye Name: 3-(carboxymethyl)-3-hexanoyloxy-pentanedioic acid CAS Name: 3-(carboxymethyl)-3-(1-oxohexoxy)pentanedioic acid IUPAC Name: 3-(carboxymethyl)-3-hexanoyloxypentanedioic acid Traditional Name: 3-caproyloxy-3-(carboxymethyl)glutaric acid Formula: C13H20O8 MolecularWeight: 304.2931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(CC(=O)O)(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCC(=O)OC(CC(=O)O)(CC(=O)O)CC(=O)O

InChI

InChI=1S/C13H20O8/c1-2-3-4-5-12(20)21-13(6-9(14)15,7-10(16)17)8-11(18)19/h2-8H2,1H3,(H,14,15)(H,16,17)(H,18,19)