[(1R,3S)-2-oxidanylidene-3-thiocyanato-cycloheptyl] thiocyanate

Systemtic Name: [(1R,3S)-2-oxidanylidene-3-thiocyanato-cycloheptyl] thiocyanate Openeye Name: [(1R,3S)-2-oxo-3-thiocyanato-cycloheptyl] thiocyanate CAS Name: thiocyanic acid [(1R,3S)-2-oxo-3-thiocyanatocycloheptyl] ester IUPAC Name: [(1R,3S)-2-oxo-3-thiocyanatocycloheptyl] thiocyanate Traditional Name: thiocyanic acid [(1R,3S)-2-keto-3-thiocyanato-cycloheptyl] ester Formula: C9H10N2OS2 MolecularWeight: 226.3185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(C1)SC#N)SC#N

Isomeric SMILES

C1CC[C@@H](C(=O)[C@@H](C1)SC#N)SC#N

InChI

InChI=1S/C9H10N2OS2/c10-5-13-7-3-1-2-4-8(9(7)12)14-6-11/h7-8H,1-4H2/t7-,8+