(1S,2R,3S)-1-isothiocyanato-2,3-dimethyl-cyclohexane

Systemtic Name: (1S,2R,3S)-1-isothiocyanato-2,3-dimethyl-cyclohexane Openeye Name: (1S,2R,3S)-1-isothiocyanato-2,3-dimethyl-cyclohexane CAS Name: (1S,2R,3S)-1-isothiocyanato-2,3-dimethylcyclohexane IUPAC Name: (1S,2R,3S)-1-isothiocyanato-2,3-dimethylcyclohexane Traditional Name: (1S,2R,3S)-1-isothiocyanato-2,3-dimethyl-cyclohexane Formula: C9H15NS MolecularWeight: 169.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N=C=S

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)N=C=S

InChI

InChI=1S/C9H15NS/c1-7-4-3-5-9(8(7)2)10-6-11/h7-9H,3-5H2,1-2H3/t7-,8+,9-/m0/s1