1-(diisocyanatomethyl)-5-isocyanato-1,3,3-trimethyl-cyclohexane

Systemtic Name: 1-(diisocyanatomethyl)-5-isocyanato-1,3,3-trimethyl-cyclohexane Openeye Name: 1-(diisocyanatomethyl)-5-isocyanato-1,3,3-trimethyl-cyclohexane CAS Name: 1-(diisocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane IUPAC Name: 1-(diisocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane Traditional Name: 1-(diisocyanatomethyl)-5-isocyanato-1,3,3-trimethyl-cyclohexane Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C(N=C=O)N=C=O)N=C=O)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C(N=C=O)N=C=O)N=C=O)C

InChI

InChI=1S/C13H17N3O3/c1-12(2)4-10(14-7-17)5-13(3,6-12)11(15-8-18)16-9-19/h10-11H,4-6H2,1-3H3