2,3-diisothiocyanato-3,5,5-trimethyl-cyclohexan-1-one

Systemtic Name: 2,3-diisothiocyanato-3,5,5-trimethyl-cyclohexan-1-one Openeye Name: 2,3-diisothiocyanato-3,5,5-trimethyl-cyclohexanone CAS Name: 2,3-diisothiocyanato-3,5,5-trimethyl-1-cyclohexanone IUPAC Name: 2,3-diisothiocyanato-3,5,5-trimethylcyclohexan-1-one Traditional Name: 2,3-diisothiocyanato-3,5,5-trimethyl-cyclohexanone Formula: C11H14N2OS2 MolecularWeight: 254.37166

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(C)N=C=S)N=C=S)C

Isomeric SMILES

CC1(CC(=O)C(C(C1)(C)N=C=S)N=C=S)C

InChI

InChI=1S/C11H14N2OS2/c1-10(2)4-8(14)9(12-6-15)11(3,5-10)13-7-16/h9H,4-5H2,1-3H3