1-isothiocyanato-2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-ethanone

Systemtic Name: 1-isothiocyanato-2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-ethanone Openeye Name: 2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl isothiocyanate CAS Name: 1-isothiocyanato-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone IUPAC Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl isothiocyanate Traditional Name: 2-(2-isopropyl-5-methyl-cyclohexoxy)-1-isothiocyanato-ethanone Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)N=C=S)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCC(=O)N=C=S)C(C)C

InChI

InChI=1S/C13H21NO2S/c1-9(2)11-5-4-10(3)6-12(11)16-7-13(15)14-8-17/h9-12H,4-7H2,1-3H3