(3R,6R)-4,5-diisothiocyanato-3,6-dimethyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile

Systemtic Name: (3R,6R)-4,5-diisothiocyanato-3,6-dimethyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile Openeye Name: (3R,6R)-4,5-diisothiocyanato-3,6-dimethyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile CAS Name: (3R,6R)-4,5-diisothiocyanato-3,6-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile IUPAC Name: (3R,6R)-4,5-diisothiocyanato-3,6-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile Traditional Name: (3R,6R)-4,5-diisothiocyanato-3,6-dimethyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile Formula: C14H8N6S2 MolecularWeight: 324.38352

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(C(C1(C#N)C#N)(C#N)C#N)C)N=C=S)N=C=S

Isomeric SMILES

C[C@H]1C(=C([C@@H](C(C1(C#N)C#N)(C#N)C#N)C)N=C=S)N=C=S

InChI

InChI=1S/C14H8N6S2/c1-9-11(19-7-21)12(20-8-22)10(2)14(5-17,6-18)13(9,3-15)4-16/h9-10H,1-2H3/t9-,10-/m0/s1