N-diazobenzenesulfonamide; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: N-diazobenzenesulfonamide; 1,3,5-triazinane-2,4,6-trione Openeye Name: N-diazobenzenesulfonamide; 1,3,5-triazinane-2,4,6-trione CAS Name: N-diazobenzenesulfonamide; 1,3,5-triazinane-2,4,6-trione IUPAC Name: N-diazobenzenesulfonamide; 1,3,5-triazinane-2,4,6-trione Traditional Name: N-diazobenzenesulfonamide; isocyanuric acid Formula: C21H18N12O9S3 MolecularWeight: 678.63762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-].C1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-].C1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-].C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-].C1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-].C1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-].C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/3C6H5N3O2S.C3H3N3O3/c3*7-8-9-12(10,11)6-4-2-1-3-5-6;7-1-4-2(8)6-3(9)5-1/h3*1-5H;(H3,4,5,6,7,8,9)