2,4-diethylbenzene-1,3-dicarbonitrile; ethanedioic acid

Systemtic Name: 2,4-diethylbenzene-1,3-dicarbonitrile; ethanedioic acid Openeye Name: 2,4-diethylbenzene-1,3-dicarbonitrile; oxalic acid CAS Name: 2,4-diethylbenzene-1,3-dicarbonitrile; oxalic acid IUPAC Name: 2,4-diethylbenzene-1,3-dicarbonitrile; oxalic acid Traditional Name: 2,4-diethylisophthalonitrile; oxalic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C#N)CC)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)C#N)CC)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H12N2.C2H2O4/c1-3-9-5-6-10(7-13)11(4-2)12(9)8-14;3-1(4)2(5)6/h5-6H,3-4H2,1-2H3;(H,3,4)(H,5,6)