1,3,5-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(3,5-ditert-butyl-4-hydroxy-phenyl)isocyanuric acid Formula: C45H63N3O6 MolecularWeight: 741.99822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C45H63N3O6/c1-40(2,3)28-19-25(20-29(34(28)49)41(4,5)6)46-37(52)47(26-21-30(42(7,8)9)35(50)31(22-26)43(10,11)12)39(54)48(38(46)53)27-23-32(44(13,14)15)36(51)33(24-27)45(16,17)18/h19-24,49-51H,1-18H3