1,3-bis(3-isocyanato-2-methyl-phenyl)-5-(3-isocyanatophenyl)-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3-bis(3-isocyanato-2-methyl-phenyl)-5-(3-isocyanatophenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3-bis(3-isocyanato-2-methyl-phenyl)-5-(3-isocyanatophenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3-bis(3-isocyanato-2-methylphenyl)-5-(3-isocyanatophenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3-bis(3-isocyanato-2-methylphenyl)-5-(3-isocyanatophenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3-bis(3-isocyanato-2-methyl-phenyl)-5-(3-isocyanatophenyl)isocyanuric acid Formula: C26H16N6O6 MolecularWeight: 508.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C(=O)N(C(=O)N(C2=O)C3=CC=CC(=C3C)N=C=O)C4=CC=CC(=C4)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C=CC=C1N2C(=O)N(C(=O)N(C2=O)C3=CC=CC(=C3C)N=C=O)C4=CC=CC(=C4)N=C=O)N=C=O

InChI

InChI=1S/C26H16N6O6/c1-16-20(28-14-34)8-4-10-22(16)31-24(36)30(19-7-3-6-18(12-19)27-13-33)25(37)32(26(31)38)23-11-5-9-21(17(23)2)29-15-35/h3-12H,1-2H3