1,3-diisocyanatocyclohexane; 1,6-diisocyanato-2,2,4-trimethyl-hexane

Systemtic Name: 1,3-diisocyanatocyclohexane; 1,6-diisocyanato-2,2,4-trimethyl-hexane Openeye Name: 1,3-diisocyanatocyclohexane; 1,6-diisocyanato-2,2,4-trimethyl-hexane CAS Name: 1,3-diisocyanatocyclohexane; 1,6-diisocyanato-2,2,4-trimethylhexane IUPAC Name: 1,3-diisocyanatocyclohexane; 1,6-diisocyanato-2,2,4-trimethylhexane Traditional Name: 1,3-diisocyanatocyclohexane; 1,6-diisocyanato-2,2,4-trimethyl-hexane Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN=C=O)CC(C)(C)CN=C=O.C1CC(CC(C1)N=C=O)N=C=O

Isomeric SMILES

CC(CCN=C=O)CC(C)(C)CN=C=O.C1CC(CC(C1)N=C=O)N=C=O

InChI

InChI=1S/C11H18N2O2.C8H10N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15;11-5-9-7-2-1-3-8(4-7)10-6-12/h10H,4-7H2,1-3H3;7-8H,1-4H2