1,4-diisocyanatobutane; 1,5-diisocyanatopentane; 1,3-diisocyanatopropane

Systemtic Name: 1,4-diisocyanatobutane; 1,5-diisocyanatopentane; 1,3-diisocyanatopropane Openeye Name: 1,4-diisocyanatobutane; 1,5-diisocyanatopentane; 1,3-diisocyanatopropane CAS Name: 1,4-diisocyanatobutane; 1,5-diisocyanatopentane; 1,3-diisocyanatopropane IUPAC Name: 1,4-diisocyanatobutane; 1,5-diisocyanatopentane; 1,3-diisocyanatopropane Traditional Name: 1,4-diisocyanatobutane; 1,5-diisocyanatopentane; 1,3-diisocyanatopropane Formula: C18H24N6O6 MolecularWeight: 420.41976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10N2O2.C6H8N2O2.C5H6N2O2/c10-6-8-4-2-1-3-5-9-7-11;9-5-7-3-1-2-4-8-6-10;8-4-6-2-1-3-7-5-9/h1-5H2;1-4H2;1-3H2