1-(2,3,6-triisocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-(2,3,6-triisocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-(2,3,6-triisocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1-(2,3,6-triisocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-(2,3,6-triisocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-(2,3,6-triisocyanato-4-methyl-phenyl)isocyanuric acid Formula: C13H6N6O6 MolecularWeight: 342.22334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N=C=O)N=C=O)N2C(=O)NC(=O)NC2=O)N=C=O

Isomeric SMILES

CC1=CC(=C(C(=C1N=C=O)N=C=O)N2C(=O)NC(=O)NC2=O)N=C=O

InChI

InChI=1S/C13H6N6O6/c1-6-2-7(14-3-20)10(9(16-5-22)8(6)15-4-21)19-12(24)17-11(23)18-13(19)25/h2H,1H3,(H2,17,18,23,24,25)