2-iodanyl-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane

Systemtic Name: 2-iodanyl-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Openeye Name: 2-iodo-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane CAS Name: 2-iodo-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane IUPAC Name: 2-iodo-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane Traditional Name: 2-iodo-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Formula: C12H17IN2O2 MolecularWeight: 348.18005

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1I)(C)CN=C=O)N=C=O)C

Isomeric SMILES

CC1(CC(CC(C1I)(C)CN=C=O)N=C=O)C

InChI

InChI=1S/C12H17IN2O2/c1-11(2)4-9(15-8-17)5-12(3,10(11)13)6-14-7-16/h9-10H,4-6H2,1-3H3