5-(isocyanatomethyl)-2,3-diisocyano-1,1,5-trimethyl-cyclohexane

Systemtic Name: 5-(isocyanatomethyl)-2,3-diisocyano-1,1,5-trimethyl-cyclohexane Openeye Name: 5-(isocyanatomethyl)-2,3-diisocyano-1,1,5-trimethyl-cyclohexane CAS Name: 5-(isocyanatomethyl)-2,3-diisocyano-1,1,5-trimethylcyclohexane IUPAC Name: 5-(isocyanatomethyl)-2,3-diisocyano-1,1,5-trimethylcyclohexane Traditional Name: 5-(isocyanatomethyl)-2,3-diisocyano-1,1,5-trimethyl-cyclohexane Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1[N+]#[C-])[N+]#[C-])(C)CN=C=O)C

Isomeric SMILES

CC1(CC(CC(C1[N+]#[C-])[N+]#[C-])(C)CN=C=O)C

InChI

InChI=1S/C13H17N3O/c1-12(2)7-13(3,8-16-9-17)6-10(14-4)11(12)15-5/h10-11H,6-8H2,1-3H3