1,12-diisocyanatododecane; 1-isocyanato-3-(isocyanatomethyl)pentane

Systemtic Name: 1,12-diisocyanatododecane; 1-isocyanato-3-(isocyanatomethyl)pentane Openeye Name: 1,12-diisocyanatododecane; 1-isocyanato-3-(isocyanatomethyl)pentane CAS Name: 1,12-diisocyanatododecane; 1-isocyanato-3-(isocyanatomethyl)pentane IUPAC Name: 1,12-diisocyanatododecane; 1-isocyanato-3-(isocyanatomethyl)pentane Traditional Name: 1,12-diisocyanatododecane; 1-isocyanato-3-(isocyanatomethyl)pentane Formula: C22H36N4O4 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN=C=O)CN=C=O.C(CCCCCCN=C=O)CCCCCN=C=O

Isomeric SMILES

CCC(CCN=C=O)CN=C=O.C(CCCCCCN=C=O)CCCCCN=C=O

InChI

InChI=1S/C14H24N2O2.C8H12N2O2/c17-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18;1-2-8(5-10-7-12)3-4-9-6-11/h1-12H2;8H,2-5H2,1H3