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

Systemtic Name: 1,3,5-tris[(3-hexyl-4-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[(3-hexyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris[(3-hexyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris[(3-hexyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(3-hexyl-4-hydroxy-benzyl)isocyanuric acid Formula: C42H57N3O6 MolecularWeight: 699.91848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)O)CCCCCC)CC4=CC(=C(C=C4)O)CCCCCC)O

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)O)CCCCCC)CC4=CC(=C(C=C4)O)CCCCCC)O

InChI

InChI=1S/C42H57N3O6/c1-4-7-10-13-16-34-25-31(19-22-37(34)46)28-43-40(49)44(29-32-20-23-38(47)35(26-32)17-14-11-8-5-2)42(51)45(41(43)50)30-33-21-24-39(48)36(27-33)18-15-12-9-6-3/h19-27,46-48H,4-18,28-30H2,1-3H3