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Substance Name: Ferrate(1-), bis(3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kappaO)benzoato(2-)-kappaO)-, hydrogen (1:1)
RN: 102561-69-3
InChIKey: QJFCQUQCDDUFOL-UHFFFAOYSA-K

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C30-H40-Fe-O6.H

Molecular Weight

  • 553.4929
 
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Names and Synonyms

  • Ferrate(1-), bis(3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kappaO)benzoato(2-)-kappaO)-, hydrogen
  • Ferrate(1-), bis(3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kappaO)benzoato(2-)-kappaO)-, hydrogen (1:1)

Registry Numbers

CAS Registry Number

  • 102561-69-3

Other Registry Number

  • 485388-29-2

System Generated Number

  • 0102561693

Molecular Formulas

Molecular Formula

  • C30-H40-Fe-O6.H

Molecular Formula Fragments

  • C30-H40-Fe-O6
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C15H22O3.Fe/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+3/p-3

InChIKey

QJFCQUQCDDUFOL-UHFFFAOYSA-K

Smiles

[H+].CC(C)(C)c1cc2c(c(c1)C(C)(C)C)O[Fe-]3(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C(=O)O3)OC2=O