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

Systemtic Name: 1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-4-methyl-phenyl)isocyanuric acid Formula: C26H24N6O6 MolecularWeight: 516.50536

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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)CCCCCCN=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)CCCCCCN=C=O)N=C=O

InChI

InChI=1S/C26H24N6O6/c1-18-7-9-20(13-22(18)28-16-34)31-24(36)30(12-6-4-3-5-11-27-15-33)25(37)32(26(31)38)21-10-8-19(2)23(14-21)29-17-35/h7-10,13-14H,3-6,11-12H2,1-2H3