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

Systemtic Name:	3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; iron(3+)
Openeye Name:	ferric 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; iron(3+)
IUPAC Name:	3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoate; iron(3+)
Traditional Name:	ferric 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate
Formula:	C₉₀H₁₂₃FeO₁₅
MolecularWeight:	1500.77562

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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.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.[Fe+3]

Isomeric SMILES

InChI

InChI=1S/3C30H42O5.Fe/c3*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;/h3*13-16,31H,1-12H3,(H,32,33);/q;;;+3/p-3

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