3-isocyanato-1-(isocyanatomethyl)-1,4,5-trimethyl-cyclohexane

Systemtic Name: 3-isocyanato-1-(isocyanatomethyl)-1,4,5-trimethyl-cyclohexane Openeye Name: 3-isocyanato-1-(isocyanatomethyl)-1,4,5-trimethyl-cyclohexane CAS Name: 3-isocyanato-1-(isocyanatomethyl)-1,4,5-trimethylcyclohexane IUPAC Name: 3-isocyanato-1-(isocyanatomethyl)-1,4,5-trimethylcyclohexane Traditional Name: 3-isocyanato-1-(isocyanatomethyl)-1,4,5-trimethyl-cyclohexane Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C)N=C=O)(C)CN=C=O

Isomeric SMILES

CC1CC(CC(C1C)N=C=O)(C)CN=C=O

InChI

InChI=1S/C12H18N2O2/c1-9-4-12(3,6-13-7-15)5-11(10(9)2)14-8-16/h9-11H,4-6H2,1-3H3