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

Systemtic Name: 1,3,5-tris(3-isocyanato-2-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris(3-isocyanato-2-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris(3-isocyanato-2-methylphenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris(3-isocyanato-2-methylphenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(3-isocyanato-2-methyl-phenyl)isocyanuric acid Formula: C27H18N6O6 MolecularWeight: 522.46842

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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(=C4C)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(=C4C)N=C=O)N=C=O

InChI

InChI=1S/C27H18N6O6/c1-16-19(28-13-34)7-4-10-22(16)31-25(37)32(23-11-5-8-20(17(23)2)29-14-35)27(39)33(26(31)38)24-12-6-9-21(18(24)3)30-15-36/h4-12H,1-3H3