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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 (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1)
RN: 101392-98-7
InChIKey: JLDFAFKTSZAFTO-UHFFFAOYSA-N

Molecular Formula

  • C21-H14-Br4-O5-S.C20-H24-N2-O2

Molecular Weight

  • 1022.44
 
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Names and Synonyms

Synonym

  • Bromocresol green, compd. with quinine

Systematic Name

  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, compd. with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1)

Registry Numbers

CAS Registry Number

  • 101392-98-7

System Generated Number

  • 0101392987

Molecular Formulas

Molecular Formula

  • C21-H14-Br4-O5-S.C20-H24-N2-O2

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C21-H14-Br4-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H14Br4O5S.C20H24N2O2/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;1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-8,26-27H,1-2H3;3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3

InChIKey

JLDFAFKTSZAFTO-UHFFFAOYSA-N

Smiles

S1(=O)(=O)OC(c2c(c(c(c(c2)Br)O)Br)C)(c2c(c(c(c(c2)Br)O)Br)C)c2c1cccc2.c1([C@@H]([C@@H]2[N@@]3CC[C@@H]([C@@H](C3)C=C)C2)O)c2cc(ccc2ncc1)OC