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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1N=C=O)(C)C)CN=C=O

Isomeric SMILES

CC1C(CC(CC1N=C=O)(C)C)CN=C=O

InChI

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