1,4-diisocyanatobutane; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane

Systemtic Name: 1,4-diisocyanatobutane; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Openeye Name: 1,4-diisocyanatobutane; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane CAS Name: 1,4-diisocyanatobutane; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane IUPAC Name: 1,4-diisocyanatobutane; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Traditional Name: 1,4-diisocyanatobutane; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Formula: C21H30N4O4 MolecularWeight: 402.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCN=C=O)CN=C=O

Isomeric SMILES

C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCN=C=O)CN=C=O

InChI

InChI=1S/C15H22N2O2.C6H8N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;9-5-7-3-1-2-4-8-6-10/h12-15H,1-9H2;1-4H2