1-isocyanato-4-methyl-benzene; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-isocyanato-4-methyl-benzene; 1,3,5-triazinane-2,4,6-trione Openeye Name: 1-isocyanato-4-methyl-benzene; 1,3,5-triazinane-2,4,6-trione CAS Name: 1-isocyanato-4-methylbenzene; 1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-isocyanato-4-methylbenzene; 1,3,5-triazinane-2,4,6-trione Traditional Name: 1-isocyanato-4-methyl-benzene; isocyanuric acid Formula: C27H24N6O6 MolecularWeight: 528.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C=O.CC1=CC=C(C=C1)N=C=O.CC1=CC=C(C=C1)N=C=O.C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

CC1=CC=C(C=C1)N=C=O.CC1=CC=C(C=C1)N=C=O.CC1=CC=C(C=C1)N=C=O.C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/3C8H7NO.C3H3N3O3/c3*1-7-2-4-8(5-3-7)9-6-10;7-1-4-2(8)6-3(9)5-1/h3*2-5H,1H3;(H3,4,5,6,7,8,9)