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Substance Name: 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide
RN: 40070-59-5
InChIKey: JHWIBPVPGLHJHA-RMFGFXDFSA-N

Molecular Formula

  • C23-H20-Br2-O5-S

Molecular Weight

  • 572.3116
 
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Names and Synonyms

Synonym

  • EINECS 254-780-4

Systematic Names

  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethyl-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 40070-59-5

System Generated Number

  • 0040070595

Structure Descriptors

InChI

1S/C23H24Br2O5S/c1-11-9-16(13(3)19(24)21(11)26)23(17-10-12(2)22(27)20(25)14(17)4)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,13,16,19,21,26-27H,1-4H3/t13-,16-,19+,21-,23-/m0/s1

InChIKey

JHWIBPVPGLHJHA-RMFGFXDFSA-N

Smiles

Cc1cc(c(c(c1O)Br)C)[C@]2(c3ccccc3S(=O)(=O)O2)[C@H]4C=C([C@@H]([C@@H]([C@H]4C)Br)O)C