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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)N(C(=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)N2C(=O)N(C(=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/C27H18N6O6/c1-16-4-7-19(10-22(16)28-13-34)31-25(37)32(20-8-5-17(2)23(11-20)29-14-35)27(39)33(26(31)38)21-9-6-18(3)24(12-21)30-15-36/h4-12H,1-3H3