2-cyanoterephthalic acid; pentylcyclohexane

Systemtic Name: 2-cyanoterephthalic acid; pentylcyclohexane Openeye Name: 2-cyanoterephthalic acid; pentylcyclohexane CAS Name: 2-cyanoterephthalic acid; pentylcyclohexane IUPAC Name: 2-cyanoterephthalic acid; pentylcyclohexane Traditional Name: amylcyclohexane; 2-cyanoterephthalic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22.C9H5NO4/c1-2-3-5-8-11-9-6-4-7-10-11;10-4-6-3-5(8(11)12)1-2-7(6)9(13)14/h11H,2-10H2,1H3;1-3H,(H,11,12)(H,13,14)