(3,3,5-trimethylcyclohexyl) 2-thiocyanatoethanoate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 2-thiocyanatoethanoate Openeye Name: (3,3,5-trimethylcyclohexyl) 2-thiocyanatoacetate CAS Name: 2-thiocyanatoacetic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-thiocyanatoacetate Traditional Name: 2-thiocyanatoacetic acid (3,3,5-trimethylcyclohexyl) ester Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)CSC#N

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=O)CSC#N

InChI

InChI=1S/C12H19NO2S/c1-9-4-10(6-12(2,3)5-9)15-11(14)7-16-8-13/h9-10H,4-7H2,1-3H3