2,3-dicyanoterephthalic acid; pentylcyclohexane

Systemtic Name: 2,3-dicyanoterephthalic acid; pentylcyclohexane Openeye Name: 2,3-dicyanoterephthalic acid; pentylcyclohexane CAS Name: 2,3-dicyanoterephthalic acid; pentylcyclohexane IUPAC Name: 2,3-dicyanoterephthalic acid; pentylcyclohexane Traditional Name: amylcyclohexane; 2,3-dicyanoterephthalic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCCC1.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

Isomeric SMILES

CCCCCC1CCCCC1.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

InChI

InChI=1S/C11H22.C10H4N2O4/c1-2-3-5-8-11-9-6-4-7-10-11;11-3-7-5(9(13)14)1-2-6(10(15)16)8(7)4-12/h11H,2-10H2,1H3;1-2H,(H,13,14)(H,15,16)