(1-isocyanato-3,3,5-trimethyl-cyclohexyl)methyl cyanate

Systemtic Name: (1-isocyanato-3,3,5-trimethyl-cyclohexyl)methyl cyanate Openeye Name: (1-isocyanato-3,3,5-trimethyl-cyclohexyl)methyl cyanate CAS Name: cyanic acid (1-isocyanato-3,3,5-trimethylcyclohexyl)methyl ester IUPAC Name: (1-isocyanato-3,3,5-trimethylcyclohexyl)methyl cyanate Traditional Name: cyanic acid (1-isocyanato-3,3,5-trimethyl-cyclohexyl)methyl ester Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(COC#N)N=C=O)(C)C

Isomeric SMILES

CC1CC(CC(C1)(COC#N)N=C=O)(C)C

InChI

InChI=1S/C12H18N2O2/c1-10-4-11(2,3)6-12(5-10,14-9-15)7-16-8-13/h10H,4-7H2,1-3H3