Bromoxylenol blue

CAS Registry Number®

40070-59-5

CAS Name

Bromoxylenol blue

Molecular Formula

C23H20Br2O5S

Molecular Mass

568.27

Cite this Page

Bromoxylenol blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40070-59-5 (retrieved 2024-12-18) (CAS RN: 40070-59-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H20Br2O5S/c1-11-9-16(26)13(3)21(24)19(11)23(20-12(2)10-17(27)14(4)22(20)25)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,26-27H,1-4H3

InChIKey

InChIKey=UPGCKQSJVVNCRM-UHFFFAOYSA-N

SMILES

BrC1=C(C2(C=3C(S(=O)(=O)O2)=CC=CC3)C4=C(Br)C(C)=C(O)C=C4C)C(C)=CC(O)=C1C

Canonical SMILES

O=S1(=O)OC(C=2C=CC=CC21)(C3=C(Br)C(=C(O)C=C3C)C)C4=C(Br)C(=C(O)C=C4C)C

Other Names for this Substance

  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethyl-
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethyl-, S,S-dioxide
  • 3H-2,1-Benzoxathiole, phenol deriv.
  • 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethylphenol]
  • Bromoxylenol blue

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Deleted or Replaced CAS Registry Numbers

54991-05-8

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.