1-(1,6-diisocyanatohexyl)-1-isocyanato-3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexane

Systemtic Name: 1-(1,6-diisocyanatohexyl)-1-isocyanato-3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexane Openeye Name: 1-(1,6-diisocyanatohexyl)-1-isocyanato-3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexane CAS Name: 1-(1,6-diisocyanatohexyl)-1-isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane IUPAC Name: 1-(1,6-diisocyanatohexyl)-1-isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane Traditional Name: 1-(1,6-diisocyanatohexyl)-1-isocyanato-3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexane Formula: C20H28N4O4 MolecularWeight: 388.46072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/c1-18(2)9-19(3,12-22-14-26)11-20(10-18,24-16-28)17(23-15-27)7-5-4-6-8-21-13-25/h17H,4-12H2,1-3H3