ethane-1,2-diol; 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate

Systemtic Name: ethane-1,2-diol; 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate Openeye Name: ethylene glycol; 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate CAS Name: ethane-1,2-diol; 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate IUPAC Name: ethane-1,2-diol; 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate Traditional Name: ethylene glycol; 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate Formula: C14H23O9-3 MolecularWeight: 335.32702

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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.C(CO)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O7.C2H6O2/c1-4-7(8(13)14)12(19,10(17)18)11(5-2,6-3)9(15)16;3-1-2-4/h7,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18);3-4H,1-2H2/p-3