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Substance Name: 2-(2,4,5,7-Tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, zirconium salt
RN: 94021-89-3
InChIKey: LOVRHALAUNWXST-UHFFFAOYSA-J

Molecular Formula

  • C20-H8-Br4-O5.x-Zr

Molecular Weight

  • 2686.8324
 
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Names and Synonyms

Synonym

  • EINECS 301-481-2

Systematic Name

  • 2-(2,4,5,7-Tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, zirconium salt

Registry Numbers

CAS Registry Number

  • 94021-89-3

System Generated Number

  • 0094021893

Molecular Formulas

Molecular Formula

  • C20-H8-Br4-O5.x-Zr

Molecular Formula Fragments

  • C20-H8-Br4-O5
  • COMPONENT
  • Zr

Structure Descriptors

InChI

1S/4C20H10Br4O5.Zr/c4*21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;/h4*1-6,13,25-26H,(H,27,28);/q;;;;+4/p-4

InChIKey

LOVRHALAUNWXST-UHFFFAOYSA-J

Smiles

[Zr+4].C(=O)(c1c(cccc1)C1c2cc(c(c(c2Oc2c(c(c(cc12)Br)O)Br)Br)O)Br)[O-].C(=O)(c1c(cccc1)C1c2cc(c(c(c2Oc2c(c(c(cc12)Br)O)Br)Br)O)Br)[O-].C(=O)(c1c(cccc1)C1c2cc(c(c(c2Oc2c(c(c(cc12)Br)O)Br)Br)O)Br)[O-].C(=O)(c1c(cccc1)C1c2cc(c(c(c2Oc2c(c(c(cc12)Br)O)Br)Br)O)Br)[O-]