3,5-bis(1-isocyanatohexyl)-2-oxidanylidene-1,2,3-oxadiazinan-2-ium-4,6-dione

Systemtic Name: 3,5-bis(1-isocyanatohexyl)-2-oxidanylidene-1,2,3-oxadiazinan-2-ium-4,6-dione Openeye Name: 3,5-bis(1-isocyanatohexyl)-2-oxo-oxadiazinan-2-ium-4,6-dione CAS Name: 3,5-bis(1-isocyanatohexyl)-2-oxooxadiazinan-2-ium-4,6-dione IUPAC Name: 3,5-bis(1-isocyanatohexyl)-2-oxooxadiazinan-2-ium-4,6-dione Traditional Name: 3,5-bis(1-isocyanatohexyl)-2-keto-oxadiazinan-2-ium-4,6-quinone Formula: C17H25N4O6+ MolecularWeight: 381.4036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1C(=O)N([N+](=O)OC1=O)C(CCCCC)N=C=O)N=C=O

Isomeric SMILES

CCCCCC(C1C(=O)N([N+](=O)OC1=O)C(CCCCC)N=C=O)N=C=O

InChI

InChI=1S/C17H25N4O6/c1-3-5-7-9-13(18-11-22)15-16(24)20(21(26)27-17(15)25)14(19-12-23)10-8-6-4-2/h13-15H,3-10H2,1-2H3/q+1