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Substance Name: Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, compd. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)
RN: 101707-43-1
InChIKey: LWEGQNFCNBAYPX-UHFFFAOYSA-N

Molecular Formula

  • C21-H14-Br4-O5-S.C20-H21-N-O4

Molecular Weight

  • 1037.41
 
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Names and Synonyms

  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, compd. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-S,S-dioxide, compd. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)

Registry Numbers

CAS Registry Number

  • 101707-43-1

System Generated Number

  • 0101707431

Molecular Formulas

Molecular Formula

  • C21-H14-Br4-O5-S.C20-H21-N-O4

Molecular Formula Fragments

  • C20-H21-N-O4
  • C21-H14-Br4-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H14Br4O5S.C20H21NO4/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;1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h3-8,26-27H,1-2H3;5-8,10-12H,9H2,1-4H3

InChIKey

LWEGQNFCNBAYPX-UHFFFAOYSA-N

Smiles

c1(nccc2cc(c(cc12)OC)OC)Cc1cc(c(cc1)OC)OC.S1(OC(c2c1cccc2)(c1c(c(c(c(c1)Br)O)Br)C)c1c(c(c(c(c1)Br)O)Br)C)(=O)=O