aminocarbonylcarbamic acid; 1,6-diisocyanatohexane

Systemtic Name: aminocarbonylcarbamic acid; 1,6-diisocyanatohexane Openeye Name: carbamoylcarbamic acid; 1,6-diisocyanatohexane CAS Name: carbamoylcarbamic acid; 1,6-diisocyanatohexane IUPAC Name: carbamoylcarbamic acid; 1,6-diisocyanatohexane Traditional Name: allophanic acid; 1,6-diisocyanatohexane Formula: C10H16N4O5 MolecularWeight: 272.25784

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C=O)CCN=C=O.C(=O)(N)NC(=O)O

Isomeric SMILES

C(CCCN=C=O)CCN=C=O.C(=O)(N)NC(=O)O

InChI

InChI=1S/C8H12N2O2.C2H4N2O3/c11-7-9-5-3-1-2-4-6-10-8-12;3-1(5)4-2(6)7/h1-6H2;(H,6,7)(H3,3,4,5)