1,4-diisocyanatobutane; 1,6-diisocyanatohexane; 1,5-diisocyanatopentane

Systemtic Name: 1,4-diisocyanatobutane; 1,6-diisocyanatohexane; 1,5-diisocyanatopentane Openeye Name: 1,4-diisocyanatobutane; 1,6-diisocyanatohexane; 1,5-diisocyanatopentane CAS Name: 1,4-diisocyanatobutane; 1,6-diisocyanatohexane; 1,5-diisocyanatopentane IUPAC Name: 1,4-diisocyanatobutane; 1,6-diisocyanatohexane; 1,5-diisocyanatopentane Traditional Name: 1,4-diisocyanatobutane; 1,6-diisocyanatohexane; 1,5-diisocyanatopentane Formula: C21H30N6O6 MolecularWeight: 462.4995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O2.C7H10N2O2.C6H8N2O2/c11-7-9-5-3-1-2-4-6-10-8-12;10-6-8-4-2-1-3-5-9-7-11;9-5-7-3-1-2-4-8-6-10/h1-6H2;1-5H2;1-4H2