1,2-diisocyanato-5,5,7-trimethyl-octane

Systemtic Name: 1,2-diisocyanato-5,5,7-trimethyl-octane Openeye Name: 1,2-diisocyanato-5,5,7-trimethyl-octane CAS Name: 1,2-diisocyanato-5,5,7-trimethyloctane IUPAC Name: 1,2-diisocyanato-5,5,7-trimethyloctane Traditional Name: 1,2-diisocyanato-5,5,7-trimethyl-octane Formula: C13H22N2O2 MolecularWeight: 238.32598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C)CCC(CN=C=O)N=C=O

Isomeric SMILES

CC(C)CC(C)(C)CCC(CN=C=O)N=C=O

InChI

InChI=1S/C13H22N2O2/c1-11(2)7-13(3,4)6-5-12(15-10-17)8-14-9-16/h11-12H,5-8H2,1-4H3