1,8-diisocyanatooctane; 1,6-diisocyanato-2,4,4-trimethyl-hexane

Systemtic Name: 1,8-diisocyanatooctane; 1,6-diisocyanato-2,4,4-trimethyl-hexane Openeye Name: 1,8-diisocyanatooctane; 1,6-diisocyanato-2,4,4-trimethyl-hexane CAS Name: 1,8-diisocyanatooctane; 1,6-diisocyanato-2,4,4-trimethylhexane IUPAC Name: 1,8-diisocyanatooctane; 1,6-diisocyanato-2,4,4-trimethylhexane Traditional Name: 1,8-diisocyanatooctane; 1,6-diisocyanato-2,4,4-trimethyl-hexane Formula: C21H34N4O4 MolecularWeight: 406.51906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)CCN=C=O)CN=C=O.C(CCCCN=C=O)CCCN=C=O

Isomeric SMILES

CC(CC(C)(C)CCN=C=O)CN=C=O.C(CCCCN=C=O)CCCN=C=O

InChI

InChI=1S/C11H18N2O2.C10H16N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14;13-9-11-7-5-3-1-2-4-6-8-12-10-14/h10H,4-7H2,1-3H3;1-8H2