ethanedioic acid; 4-(phenylmethyl)benzene-1,3-dicarbonitrile

Systemtic Name: ethanedioic acid; 4-(phenylmethyl)benzene-1,3-dicarbonitrile Openeye Name: 4-benzylbenzene-1,3-dicarbonitrile; oxalic acid CAS Name: oxalic acid; 4-(phenylmethyl)benzene-1,3-dicarbonitrile IUPAC Name: 4-benzylbenzene-1,3-dicarbonitrile; oxalic acid Traditional Name: 4-benzylisophthalonitrile; oxalic acid Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2)C#N)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2)C#N)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H10N2.C2H2O4/c16-10-13-6-7-14(15(9-13)11-17)8-12-4-2-1-3-5-12;3-1(4)2(5)6/h1-7,9H,8H2;(H,3,4)(H,5,6)