2-cyano-5,5-dimethyl-4-oxidanylidene-3-pyridin-1-ium-1-yl-hexanedithioic acid

Systemtic Name: 2-cyano-5,5-dimethyl-4-oxidanylidene-3-pyridin-1-ium-1-yl-hexanedithioic acid Openeye Name: 2-cyano-5,5-dimethyl-4-oxo-3-pyridin-1-ium-1-yl-hexanedithioic acid CAS Name: 2-cyano-5,5-dimethyl-4-oxo-3-(1-pyridin-1-iumyl)hexanedithioic acid IUPAC Name: 2-cyano-5,5-dimethyl-4-oxo-3-pyridin-1-ium-1-ylhexanedithioic acid Traditional Name: 2-cyano-4-keto-5,5-dimethyl-3-pyridin-1-ium-1-yl-hexanedithioic acid Formula: C14H17N2OS2+ MolecularWeight: 293.42758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(C#N)C(=S)S)[N+]1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)C(C(C#N)C(=S)S)[N+]1=CC=CC=C1

InChI

InChI=1S/C14H16N2OS2/c1-14(2,3)12(17)11(10(9-15)13(18)19)16-7-5-4-6-8-16/h4-8,10-11H,1-3H3/p+1