ethanedioic acid; 2-ethylcyclohexane-1,3,5-tricarbonitrile

Systemtic Name: ethanedioic acid; 2-ethylcyclohexane-1,3,5-tricarbonitrile Openeye Name: 2-ethylcyclohexane-1,3,5-tricarbonitrile; oxalic acid CAS Name: 2-ethylcyclohexane-1,3,5-tricarbonitrile; oxalic acid IUPAC Name: 2-ethylcyclohexane-1,3,5-tricarbonitrile; oxalic acid Traditional Name: 2-ethylcyclohexane-1,3,5-tricarbonitrile; oxalic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC(CC1C#N)C#N)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1C(CC(CC1C#N)C#N)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H13N3.C2H2O4/c1-2-11-9(6-13)3-8(5-12)4-10(11)7-14;3-1(4)2(5)6/h8-11H,2-4H2,1H3;(H,3,4)(H,5,6)