sodium 5,5-dimethyl-2-pyridin-2-yl-cyclohexane-1,3-dione

Systemtic Name: sodium 5,5-dimethyl-2-pyridin-2-yl-cyclohexane-1,3-dione Openeye Name: sodium 5,5-dimethyl-2-(2-pyridyl)cyclohexane-1,3-dione CAS Name: sodium 5,5-dimethyl-2-(2-pyridinyl)cyclohexane-1,3-dione IUPAC Name: sodium 5,5-dimethyl-2-pyridin-2-ylcyclohexane-1,3-dione Traditional Name: sodium 5,5-dimethyl-2-(2-pyridyl)cyclohexane-1,3-quinone Formula: C13H15NNaO2+ MolecularWeight: 240.25347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2=CC=CC=N2)C.[Na+]

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2=CC=CC=N2)C.[Na+]

InChI

InChI=1S/C13H15NO2.Na/c1-13(2)7-10(15)12(11(16)8-13)9-5-3-4-6-14-9;/h3-6,12H,7-8H2,1-2H3;/q;+1