4-[[bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]azaniumyl]methyl]-2,6-ditert-butyl-phenolate

Systemtic Name: 4-[[bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]azaniumyl]methyl]-2,6-ditert-butyl-phenolate Openeye Name: 4-[[bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]ammonio]methyl]-2,6-ditert-butyl-phenolate CAS Name: 4-[[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ammonio]methyl]-2,6-ditert-butylphenolate IUPAC Name: 4-[[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]azaniumyl]methyl]-2,6-ditert-butylphenolate Traditional Name: 4-[[bis(3,5-ditert-butyl-4-hydroxy-benzyl)ammonio]methyl]-2,6-ditert-butyl-phenolate Formula: C45H69NO3 MolecularWeight: 672.03426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC(=C(C(=C3)C(C)(C)C)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC(=C(C(=C3)C(C)(C)C)[O-])C(C)(C)C

InChI

InChI=1S/C45H69NO3/c1-40(2,3)31-19-28(20-32(37(31)47)41(4,5)6)25-46(26-29-21-33(42(7,8)9)38(48)34(22-29)43(10,11)12)27-30-23-35(44(13,14)15)39(49)36(24-30)45(16,17)18/h19-24,47-49H,25-27H2,1-18H3