1,3,5-tris(3-isocyanato-4-methyl-phenyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione

Systemtic Name: 1,3,5-tris(3-isocyanato-4-methyl-phenyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione Openeye Name: 1,3,5-tris(3-isocyanato-4-methyl-phenyl)-2-oxo-triazinan-2-ium-4,6-dione CAS Name: 1,3,5-tris(3-isocyanato-4-methylphenyl)-2-oxotriazinan-2-ium-4,6-dione IUPAC Name: 1,3,5-tris(3-isocyanato-4-methylphenyl)-2-oxotriazinan-2-ium-4,6-dione Traditional Name: 1,3,5-tris(3-isocyanato-4-methyl-phenyl)-2-keto-triazinan-2-ium-4,6-quinone Formula: C27H19N6O6+ MolecularWeight: 523.47636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=O)N([N+](=O)N(C2=O)C3=CC(=C(C=C3)C)N=C=O)C4=CC(=C(C=C4)C)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=O)N([N+](=O)N(C2=O)C3=CC(=C(C=C3)C)N=C=O)C4=CC(=C(C=C4)C)N=C=O)N=C=O

InChI

InChI=1S/C27H19N6O6/c1-16-4-7-19(10-22(16)28-13-34)25-26(37)31(20-8-5-17(2)23(11-20)29-14-35)33(39)32(27(25)38)21-9-6-18(3)24(12-21)30-15-36/h4-12,25H,1-3H3/q+1