[3-cyanato-6-(isocyanatomethyl)-2,4,4-trimethyl-cyclohexyl] cyanate

Systemtic Name: [3-cyanato-6-(isocyanatomethyl)-2,4,4-trimethyl-cyclohexyl] cyanate Openeye Name: [3-cyanato-6-(isocyanatomethyl)-2,4,4-trimethyl-cyclohexyl] cyanate CAS Name: cyanic acid [3-cyanato-6-(isocyanatomethyl)-2,4,4-trimethylcyclohexyl] ester IUPAC Name: [3-cyanato-6-(isocyanatomethyl)-2,4,4-trimethylcyclohexyl] cyanate Traditional Name: cyanic acid [3-cyanato-6-(isocyanatomethyl)-2,4,4-trimethyl-cyclohexyl] ester Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(C1OC#N)(C)C)CN=C=O)OC#N

Isomeric SMILES

CC1C(C(CC(C1OC#N)(C)C)CN=C=O)OC#N

InChI

InChI=1S/C13H17N3O3/c1-9-11(18-6-14)10(5-16-8-17)4-13(2,3)12(9)19-7-15/h9-12H,4-5H2,1-3H3