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

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-3-methyl-benzoate; manganese(2+) Openeye Name: manganous 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-3-methyl-benzoate CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-3-methylbenzoate; manganese(2+) IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-3-methylbenzoate; manganese(2+) Traditional Name: manganous 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-3-methyl-benzoate Formula: C46H54MnO10 MolecularWeight: 821.853009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC1=C(C=CC(=C1)C(=O)[O-])OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.[Mn+2]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC1=C(C=CC(=C1)C(=O)[O-])OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.[Mn+2]

InChI

InChI=1S/2C23H28O5.Mn/c2*1-13-10-14(20(25)26)8-9-18(13)28-21(27)15-11-16(22(2,3)4)19(24)17(12-15)23(5,6)7;/h2*8-12,24H,1-7H3,(H,25,26);/q;;+2/p-2