1-isocyanato-3-(isocyanatomethyl)cyclohexane; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-isocyanato-3-(isocyanatomethyl)cyclohexane; 1,3,5-triazinane-2,4,6-trione Openeye Name: 1-isocyanato-3-(isocyanatomethyl)cyclohexane; 1,3,5-triazinane-2,4,6-trione CAS Name: 1-isocyanato-3-(isocyanatomethyl)cyclohexane; 1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-isocyanato-3-(isocyanatomethyl)cyclohexane; 1,3,5-triazinane-2,4,6-trione Traditional Name: 1-isocyanato-3-(isocyanatomethyl)cyclohexane; isocyanuric acid Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N=C=O)CN=C=O.C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

C1CC(CC(C1)N=C=O)CN=C=O.C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/C9H12N2O2.C3H3N3O3/c12-6-10-5-8-2-1-3-9(4-8)11-7-13;7-1-4-2(8)6-3(9)5-1/h8-9H,1-5H2;(H3,4,5,6,7,8,9)