1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(4-nitrophenyl)isocyanuric acid Formula: C21H12N6O9 MolecularWeight: 492.35478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)N(C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)N(C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12N6O9/c28-19-22(13-1-7-16(8-2-13)25(31)32)20(29)24(15-5-11-18(12-6-15)27(35)36)21(30)23(19)14-3-9-17(10-4-14)26(33)34/h1-12H