1,3,5-tris[(3-octyl-4-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris[(3-octyl-4-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[(4-hydroxy-3-octyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris[(4-hydroxy-3-octylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris[(4-hydroxy-3-octylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(4-hydroxy-3-octyl-benzyl)isocyanuric acid Formula: C48H69N3O6 MolecularWeight: 784.07796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)O)CCCCCCCC)CC4=CC(=C(C=C4)O)CCCCCCCC)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)O)CCCCCCCC)CC4=CC(=C(C=C4)O)CCCCCCCC)O

InChI

InChI=1S/C48H69N3O6/c1-4-7-10-13-16-19-22-40-31-37(25-28-43(40)52)34-49-46(55)50(35-38-26-29-44(53)41(32-38)23-20-17-14-11-8-5-2)48(57)51(47(49)56)36-39-27-30-45(54)42(33-39)24-21-18-15-12-9-6-3/h25-33,52-54H,4-24,34-36H2,1-3H3