ethanedioic acid; ethyl 4-[2-(3-chloranylphenoxy)ethyl]piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: ethanedioic acid; ethyl 4-[2-(3-chloranylphenoxy)ethyl]piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethyl 4-[2-(3-chlorophenoxy)ethyl]piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxo-acetate; oxalic acid CAS Name: 4-[2-(3-chlorophenoxy)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester; 2-hydroxy-2-oxoacetate; oxalic acid IUPAC Name: ethyl 4-[2-(3-chlorophenoxy)ethyl]piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxoacetate; oxalic acid Traditional Name: 4-[2-(3-chlorophenoxy)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester; oxalic acid; binoxalate Formula: C19H25ClN2O11 MolecularWeight: 492.8616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCOC2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCOC2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C15H21ClN2O3.2C2H2O4/c1-2-20-15(19)18-8-6-17(7-9-18)10-11-21-14-5-3-4-13(16)12-14;2*3-1(4)2(5)6/h3-5,12H,2,6-11H2,1H3;2*(H,3,4)(H,5,6)