1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane cyanate

Systemtic Name: 1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane cyanate Openeye Name: 1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane cyanate CAS Name: 1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane cyanate IUPAC Name: 1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane cyanate Traditional Name: 1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane cyanate Formula: C12H19N2O2- MolecularWeight: 223.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)(C)CN=C=O)C.C(#N)[O-]

Isomeric SMILES

CC1(CCCC(C1)(C)CN=C=O)C.C(#N)[O-]

InChI

InChI=1S/C11H19NO.CHNO/c1-10(2)5-4-6-11(3,7-10)8-12-9-13;2-1-3/h4-8H2,1-3H3;3H/p-1