sodium 2-(2-cyanoethyl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: sodium 2-(2-cyanoethyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: sodium 2-(2-cyanoethyl)-3-oxo-cyclohexen-1-olate CAS Name: sodium 2-(2-cyanoethyl)-3-oxo-1-cyclohexenolate IUPAC Name: sodium 2-(2-cyanoethyl)-3-oxocyclohexen-1-olate Traditional Name: sodium 2-(2-cyanoethyl)-3-keto-cyclohexen-1-olate Formula: C9H10NNaO2 MolecularWeight: 187.17097

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)CCC#N)[O-].[Na+]

Isomeric SMILES

C1CC(=C(C(=O)C1)CCC#N)[O-].[Na+]

InChI

InChI=1S/C9H11NO2.Na/c10-6-2-3-7-8(11)4-1-5-9(7)12;/h11H,1-5H2;/q;+1/p-1