2,3-dicyanoterephthalic acid; hexylcyclohexane

Systemtic Name: 2,3-dicyanoterephthalic acid; hexylcyclohexane Openeye Name: 2,3-dicyanoterephthalic acid; hexylcyclohexane CAS Name: 2,3-dicyanoterephthalic acid; hexylcyclohexane IUPAC Name: 2,3-dicyanoterephthalic acid; hexylcyclohexane Traditional Name: 2,3-dicyanoterephthalic acid; hexylcyclohexane Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCCC1.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

Isomeric SMILES

CCCCCCC1CCCCC1.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

InChI

InChI=1S/C12H24.C10H4N2O4/c1-2-3-4-6-9-12-10-7-5-8-11-12;11-3-7-5(9(13)14)1-2-6(10(15)16)8(7)4-12/h12H,2-11H2,1H3;1-2H,(H,13,14)(H,15,16)