(5,5-dimethyl-2-oxidanylidene-cyclohex-3-en-1-yl) thiocyanate

Systemtic Name: (5,5-dimethyl-2-oxidanylidene-cyclohex-3-en-1-yl) thiocyanate Openeye Name: (5,5-dimethyl-2-oxo-cyclohex-3-en-1-yl) thiocyanate CAS Name: thiocyanic acid (5,5-dimethyl-2-oxo-1-cyclohex-3-enyl) ester IUPAC Name: (5,5-dimethyl-2-oxocyclohex-3-en-1-yl) thiocyanate Traditional Name: thiocyanic acid (2-keto-5,5-dimethyl-cyclohex-3-en-1-yl) ester Formula: C9H11NOS MolecularWeight: 181.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)C=C1)SC#N)C

Isomeric SMILES

CC1(CC(C(=O)C=C1)SC#N)C

InChI

InChI=1S/C9H11NOS/c1-9(2)4-3-7(11)8(5-9)12-6-10/h3-4,8H,5H2,1-2H3