1,3-bis[2-(2-isocyanatocyclohexyl)ethyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3-bis[2-(2-isocyanatocyclohexyl)ethyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3-bis[2-(2-isocyanatocyclohexyl)ethyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3-bis[2-(2-isocyanatocyclohexyl)ethyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3-bis[2-(2-isocyanatocyclohexyl)ethyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3-bis[2-(2-isocyanatocyclohexyl)ethyl]isocyanuric acid Formula: C21H29N5O5 MolecularWeight: 431.48546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CCN2C(=O)NC(=O)N(C2=O)CCC3CCCCC3N=C=O)N=C=O

Isomeric SMILES

C1CCC(C(C1)CCN2C(=O)NC(=O)N(C2=O)CCC3CCCCC3N=C=O)N=C=O

InChI

InChI=1S/C21H29N5O5/c27-13-22-17-7-3-1-5-15(17)9-11-25-19(29)24-20(30)26(21(25)31)12-10-16-6-2-4-8-18(16)23-14-28/h15-18H,1-12H2,(H,24,29,30)