3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate

Systemtic Name: 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate Openeye Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate CAS Name: 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate IUPAC Name: 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate Traditional Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate Formula: C12H17O7-3 MolecularWeight: 273.25918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C(C(=O)[O-])(C(CC)(CC)C(=O)[O-])O

Isomeric SMILES

CCC(C(=O)[O-])C(C(=O)[O-])(C(CC)(CC)C(=O)[O-])O

InChI

InChI=1S/C12H20O7/c1-4-7(8(13)14)12(19,10(17)18)11(5-2,6-3)9(15)16/h7,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/p-3