1,3,5-tris[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]isocyanuric acid Formula: C36H54N6O6 MolecularWeight: 666.85056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)N=C=O)C)CC4(CC(CC(C4)(C)C)N=C=O)C)N=C=O)C

Isomeric SMILES

CC1(CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)N=C=O)C)CC4(CC(CC(C4)(C)C)N=C=O)C)N=C=O)C

InChI

InChI=1S/C36H54N6O6/c1-31(2)10-25(37-22-43)13-34(7,16-31)19-40-28(46)41(20-35(8)14-26(38-23-44)11-32(3,4)17-35)30(48)42(29(40)47)21-36(9)15-27(39-24-45)12-33(5,6)18-36/h25-27H,10-21H2,1-9H3