1,3,5-tris(1,6-diisocyanatohexyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione

Systemtic Name: 1,3,5-tris(1,6-diisocyanatohexyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione Openeye Name: 1,3,5-tris(1,6-diisocyanatohexyl)-2-oxo-triazinan-2-ium-4,6-dione CAS Name: 1,3,5-tris(1,6-diisocyanatohexyl)-2-oxotriazinan-2-ium-4,6-dione IUPAC Name: 1,3,5-tris(1,6-diisocyanatohexyl)-2-oxotriazinan-2-ium-4,6-dione Traditional Name: 1,3,5-tris(1,6-diisocyanatohexyl)-2-keto-triazinan-2-ium-4,6-quinone Formula: C27H34N9O9+ MolecularWeight: 628.61376

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(C1C(=O)N([N+](=O)N(C1=O)C(CCCCCN=C=O)N=C=O)C(CCCCCN=C=O)N=C=O)N=C=O)CCN=C=O

Isomeric SMILES

C(CCC(C1C(=O)N([N+](=O)N(C1=O)C(CCCCCN=C=O)N=C=O)C(CCCCCN=C=O)N=C=O)N=C=O)CCN=C=O

InChI

InChI=1S/C27H34N9O9/c37-16-28-13-7-1-4-10-22(31-19-40)25-26(43)34(23(32-20-41)11-5-2-8-14-29-17-38)36(45)35(27(25)44)24(33-21-42)12-6-3-9-15-30-18-39/h22-25H,1-15H2/q+1