[3,3-dimethyl-2,4-bis(oxidanylidene)cyclohexyl] thiocyanate

Systemtic Name: [3,3-dimethyl-2,4-bis(oxidanylidene)cyclohexyl] thiocyanate Openeye Name: (3,3-dimethyl-2,4-dioxo-cyclohexyl) thiocyanate CAS Name: thiocyanic acid (3,3-dimethyl-2,4-dioxocyclohexyl) ester IUPAC Name: (3,3-dimethyl-2,4-dioxocyclohexyl) thiocyanate Traditional Name: thiocyanic acid (2,4-diketo-3,3-dimethyl-cyclohexyl) ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2S/c1-9(2)7(11)4-3-6(8(9)12)13-5-10/h6H,3-4H2,1-2H3