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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1CN=C=O)N=C=O)(C)C

Isomeric SMILES

CC1CC(CC(C1CN=C=O)N=C=O)(C)C

InChI

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