3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate; 3-ethyl-2-oxidanyl-pentane-1,2,3-tricarboxylate

Systemtic Name: 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate; 3-ethyl-2-oxidanyl-pentane-1,2,3-tricarboxylate Openeye Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate; 3-ethyl-2-hydroxy-pentane-1,2,3-tricarboxylate CAS Name: 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate; 3-ethyl-2-hydroxypentane-1,2,3-tricarboxylate IUPAC Name: 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate; 3-ethyl-2-hydroxypentane-1,2,3-tricarboxylate Traditional Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate; 3-ethyl-2-hydroxy-pentane-1,2,3-tricarboxylate Formula: C22H30O14-6 MolecularWeight: 518.4652

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O7.C10H16O7/c1-4-7(8(13)14)12(19,10(17)18)11(5-2,6-3)9(15)16;1-3-9(4-2,7(13)14)10(17,8(15)16)5-6(11)12/h7,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18);17H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/p-6