3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; manganese(2+)

Systemtic Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; manganese(2+) Openeye Name: manganous 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate CAS Name: 3,5-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]benzoate; manganese(2+) IUPAC Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoate; manganese(2+) Traditional Name: manganous 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate Formula: C60H82MnO10 MolecularWeight: 1018.225129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.[Mn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)[O-])C(C)(C)C.[Mn+2]

InChI

InChI=1S/2C30H42O5.Mn/c2*1-27(2,3)19-15-18(16-20(23(19)31)28(4,5)6)26(34)35-24-21(29(7,8)9)13-17(25(32)33)14-22(24)30(10,11)12;/h2*13-16,31H,1-12H3,(H,32,33);/q;;+2/p-2