1,6-diisocyanato-2,4,4-trimethyl-hexane; 4-ethyl-1-isocyanato-4-(isocyanatomethyl)octane

Systemtic Name: 1,6-diisocyanato-2,4,4-trimethyl-hexane; 4-ethyl-1-isocyanato-4-(isocyanatomethyl)octane Openeye Name: 1,6-diisocyanato-2,4,4-trimethyl-hexane; 4-ethyl-1-isocyanato-4-(isocyanatomethyl)octane CAS Name: 1,6-diisocyanato-2,4,4-trimethylhexane; 4-ethyl-1-isocyanato-4-(isocyanatomethyl)octane IUPAC Name: 1,6-diisocyanato-2,4,4-trimethylhexane; 4-ethyl-1-isocyanato-4-(isocyanatomethyl)octane Traditional Name: 1,6-diisocyanato-2,4,4-trimethyl-hexane; 4-ethyl-1-isocyanato-4-(isocyanatomethyl)octane Formula: C24H40N4O4 MolecularWeight: 448.5988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CCCN=C=O)CN=C=O.CC(CC(C)(C)CCN=C=O)CN=C=O

Isomeric SMILES

CCCCC(CC)(CCCN=C=O)CN=C=O.CC(CC(C)(C)CCN=C=O)CN=C=O

InChI

InChI=1S/C13H22N2O2.C11H18N2O2/c1-3-5-7-13(4-2,10-15-12-17)8-6-9-14-11-16;1-10(7-13-9-15)6-11(2,3)4-5-12-8-14/h3-10H2,1-2H3;10H,4-7H2,1-3H3