2,4,6-tris[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-oxidanylidene-1,2,4-triazinan-1-ium-3,5-dione

Systemtic Name: 2,4,6-tris[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-oxidanylidene-1,2,4-triazinan-1-ium-3,5-dione Openeye Name: 2,4,6-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1-oxo-1,2,4-triazinan-1-ium-3,5-dione CAS Name: 2,4,6-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-oxo-1,2,4-triazinan-1-ium-3,5-dione IUPAC Name: 2,4,6-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-oxo-1,2,4-triazinan-1-ium-3,5-dione Traditional Name: 2,4,6-tris(3,5-ditert-butyl-4-hydroxy-benzyl)-1-keto-1,2,4-triazinan-1-ium-3,5-quinone Formula: C48H70N3O6+ MolecularWeight: 785.0859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)N(C(=O)N([N+]2=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC4=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)CC2C(=O)N(C(=O)N([N+]2=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(38(31)52)44(4,5)6)25-37-41(55)49(26-29-21-33(45(7,8)9)39(53)34(22-29)46(10,11)12)42(56)50(51(37)57)27-30-23-35(47(13,14)15)40(54)36(24-30)48(16,17)18/h19-24,37H,25-27H2,1-18H3,(H2-,52,53,54)/p+1