(1S,2S,4R)-2-iodanyl-1-isothiocyanato-4-methylsulfonyl-cyclohexane

Systemtic Name: (1S,2S,4R)-2-iodanyl-1-isothiocyanato-4-methylsulfonyl-cyclohexane Openeye Name: (1S,2S,4R)-2-iodo-1-isothiocyanato-4-methylsulfonyl-cyclohexane CAS Name: (1S,2S,4R)-2-iodo-1-isothiocyanato-4-methylsulfonylcyclohexane IUPAC Name: (1S,2S,4R)-2-iodo-1-isothiocyanato-4-methylsulfonylcyclohexane Traditional Name: (1S,2S,4R)-2-iodo-1-isothiocyanato-4-mesyl-cyclohexane Formula: C8H12INO2S2 MolecularWeight: 345.22085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCC(C(C1)I)N=C=S

Isomeric SMILES

CS(=O)(=O)[C@@H]1CC[C@@H]([C@H](C1)I)N=C=S

InChI

InChI=1S/C8H12INO2S2/c1-14(11,12)6-2-3-8(10-5-13)7(9)4-6/h6-8H,2-4H2,1H3/t6-,7+,8+/m1/s1