1-(6-cyanohexyl)-2-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 1-(6-cyanohexyl)-2-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 1-(6-cyanohexyl)-2-oxo-cyclopentanecarboxylic acid CAS Name: 1-(6-cyanohexyl)-2-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 1-(6-cyanohexyl)-2-oxocyclopentane-1-carboxylic acid Traditional Name: 1-(6-cyanohexyl)-2-keto-cyclopentanecarboxylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1)(CCCCCCC#N)C(=O)O

Isomeric SMILES

C1CC(=O)C(C1)(CCCCCCC#N)C(=O)O

InChI

InChI=1S/C13H19NO3/c14-10-5-3-1-2-4-8-13(12(16)17)9-6-7-11(13)15/h1-9H2,(H,16,17)