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

Systemtic Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3-bis(6-isocyanatohexyl)-5-(3-isocyanato-4-methyl-phenyl)isocyanuric acid Formula: C25H30N6O6 MolecularWeight: 510.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)N(C(=O)N(C2=O)CCCCCCN=C=O)CCCCCCN=C=O)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)N(C(=O)N(C2=O)CCCCCCN=C=O)CCCCCCN=C=O)N=C=O

InChI

InChI=1S/C25H30N6O6/c1-20-10-11-21(16-22(20)28-19-34)31-24(36)29(14-8-4-2-6-12-26-17-32)23(35)30(25(31)37)15-9-5-3-7-13-27-18-33/h10-11,16H,2-9,12-15H2,1H3