2,3-dicyanoterephthalic acid; hexoxycyclohexane

Systemtic Name: 2,3-dicyanoterephthalic acid; hexoxycyclohexane Openeye Name: 2,3-dicyanoterephthalic acid; hexoxycyclohexane CAS Name: 2,3-dicyanoterephthalic acid; hexoxycyclohexane IUPAC Name: 2,3-dicyanoterephthalic acid; hexoxycyclohexane Traditional Name: 2,3-dicyanoterephthalic acid; hexoxycyclohexane Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1CCCCC1.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

Isomeric SMILES

CCCCCCOC1CCCCC1.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

InChI

InChI=1S/C12H24O.C10H4N2O4/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;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)