1,6-diisocyanatohexane; 1-isocyanato-2-(isocyanatomethyl)benzene

Systemtic Name: 1,6-diisocyanatohexane; 1-isocyanato-2-(isocyanatomethyl)benzene Openeye Name: 1,6-diisocyanatohexane; 1-isocyanato-2-(isocyanatomethyl)benzene CAS Name: 1,6-diisocyanatohexane; 1-isocyanato-2-(isocyanatomethyl)benzene IUPAC Name: 1,6-diisocyanatohexane; 1-isocyanato-2-(isocyanatomethyl)benzene Traditional Name: 1,6-diisocyanatohexane; 1-isocyanato-2-(isocyanatomethyl)benzene Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C8H12N2O2/c12-6-10-5-8-3-1-2-4-9(8)11-7-13;11-7-9-5-3-1-2-4-6-10-8-12/h1-4H,5H2;1-6H2