1,4,6-tris[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3,5-bis(oxidanidyl)-1,3,5-triazine-3,5-diium-2-one

Systemtic Name: 1,4,6-tris[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3,5-bis(oxidanidyl)-1,3,5-triazine-3,5-diium-2-one Openeye Name: 1,4,6-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3,5-dioxido-1,3,5-triazine-3,5-diium-2-one CAS Name: 1,4,6-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3,5-dioxido-1,3,5-triazine-3,5-diium-2-one IUPAC Name: 1,4,6-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3,5-dioxido-1,3,5-triazine-3,5-diium-2-one Traditional Name: 1,4,6-tris(3,5-ditert-butyl-4-hydroxy-benzyl)-3,5-dioxido-s-triazine-3,5-diium-2-one Formula: C48H69N3O6 MolecularWeight: 784.07796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=[N+](C(=[N+](C(=O)N2CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)[O-])CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=[N+](C(=[N+](C(=O)N2CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)[O-])CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)[O-]

InChI

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