1,6-diisocyanatohexane; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one

Systemtic Name: 1,6-diisocyanatohexane; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one Openeye Name: 1,6-diisocyanatohexane; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone CAS Name: 1,6-diisocyanatohexane; 2,3-diisocyanato-3,5,5-trimethyl-1-cyclohexanone IUPAC Name: 1,6-diisocyanatohexane; 2,3-diisocyanato-3,5,5-trimethylcyclohexan-1-one Traditional Name: 1,6-diisocyanatohexane; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(C)N=C=O)N=C=O)C.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

CC1(CC(=O)C(C(C1)(C)N=C=O)N=C=O)C.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C11H14N2O3.C8H12N2O2/c1-10(2)4-8(16)9(12-6-14)11(3,5-10)13-7-15;11-7-9-5-3-1-2-4-6-10-8-12/h9H,4-5H2,1-3H3;1-6H2