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Substance Name: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide, compd. with (3S-cis)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone (1:1)
RN: 101686-75-3
InChIKey: PBZYCDMBVRJGEC-CGUPRBNSSA-N

Molecular Formula

  • C21-H14-Br4-O5-S.C11-H16-N2-O2

Molecular Weight

  • 906.278
 
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Names and Synonyms

  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide, compd. with (3S-cis)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone (1:1)

Registry Numbers

CAS Registry Number

  • 101686-75-3

System Generated Number

  • 0101686753

Molecular Formulas

Molecular Formula

  • C21-H14-Br4-O5-S.C11-H16-N2-O2

Molecular Formula Fragments

  • C11-H16-N2-O2
  • C21-H14-Br4-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H14Br4O5S.C11H16N2O2/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h3-8,26-27H,1-2H3;5,7-8,10H,3-4,6H2,1-2H3/t;8-,10-/m.0/s1

InChIKey

PBZYCDMBVRJGEC-CGUPRBNSSA-N

Smiles

S1(OC(c2cc(c(O)c(Br)c2C)Br)(c2c1cccc2)c1c(c(c(c(c1)Br)O)Br)C)(=O)=O.O1C([C@H]([C@H](C1)Cc1cncn1C)CC)=O