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

Systemtic Name: 3-ethyl-4-oxidanyl-heptane-2,3,4-tricarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate citrate CAS Name: 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-ethyl-4-hydroxyheptane-2,3,4-tricarboxylate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-ethyl-4-hydroxy-heptane-2,3,4-tricarboxylate citrate Formula: C18H22O14-6 MolecularWeight: 462.35888

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

InChI

InChI=1S/C12H20O7.C6H8O7/c1-4-7(8(13)14)12(19,10(17)18)11(5-2,6-3)9(15)16;7-3(8)1-6(13,5(11)12)2-4(9)10/h7,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-6