2-cyanoterephthalic acid; heptylcyclohexane

Systemtic Name: 2-cyanoterephthalic acid; heptylcyclohexane Openeye Name: 2-cyanoterephthalic acid; heptylcyclohexane CAS Name: 2-cyanoterephthalic acid; heptylcyclohexane IUPAC Name: 2-cyanoterephthalic acid; heptylcyclohexane Traditional Name: 2-cyanoterephthalic acid; heptylcyclohexane Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCCC1.C1=CC(=C(C=C1C(=O)O)C#N)C(=O)O

Isomeric SMILES

CCCCCCCC1CCCCC1.C1=CC(=C(C=C1C(=O)O)C#N)C(=O)O

InChI

InChI=1S/C13H26.C9H5NO4/c1-2-3-4-5-7-10-13-11-8-6-9-12-13;10-4-6-3-5(8(11)12)1-2-7(6)9(13)14/h13H,2-12H2,1H3;1-3H,(H,11,12)(H,13,14)