1,2-diisocyanatobutane; 1,6-diisocyanato-5,6-dimethyl-heptane

Systemtic Name: 1,2-diisocyanatobutane; 1,6-diisocyanato-5,6-dimethyl-heptane Openeye Name: 1,2-diisocyanatobutane; 1,6-diisocyanato-5,6-dimethyl-heptane CAS Name: 1,2-diisocyanatobutane; 1,6-diisocyanato-5,6-dimethylheptane IUPAC Name: 1,2-diisocyanatobutane; 1,6-diisocyanato-5,6-dimethylheptane Traditional Name: 1,2-diisocyanatobutane; 1,6-diisocyanato-5,6-dimethyl-heptane Formula: C17H26N4O4 MolecularWeight: 350.41274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O2.C6H8N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14;1-2-6(8-5-10)3-7-4-9/h10H,4-7H2,1-3H3;6H,2-3H2,1H3