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

Systemtic Name: 1,3,5-tris[(3-hexadecyl-4-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[(3-hexadecyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris[(3-hexadecyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris[(3-hexadecyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(3-cetyl-4-hydroxy-benzyl)isocyanuric acid Formula: C72H117N3O6 MolecularWeight: 1120.71588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)O)CCCCCCCCCCCCCCCC)CC4=CC(=C(C=C4)O)CCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)O)CCCCCCCCCCCCCCCC)CC4=CC(=C(C=C4)O)CCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C72H117N3O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-64-55-61(49-52-67(64)76)58-73-70(79)74(59-62-50-53-68(77)65(56-62)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)72(81)75(71(73)80)60-63-51-54-69(78)66(57-63)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-57,76-78H,4-48,58-60H2,1-3H3