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Substance Name: 3-Cresol purple
RN: 2303-01-7
UNII: 85ODZ58K3D
InChIKey: OLQIKGSZDTXODA-UHFFFAOYSA-N

Molecular Formula

  • C21-H18-O5-S

Molecular Weight

  • 382.434
 
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Names and Synonyms

Name of Substance

  • 3-Cresol purple

Synonyms

  • Cresol purple
  • EINECS 218-960-6
  • m-Cresol Purple
  • m-Cresolsulfonephthalein
  • NSC 9607
  • UNII-85ODZ58K3D

Systematic Names

  • m-Cresol Purple
  • m-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI)
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(3-methyl-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-methyl-, S,S-dioxide (9CI)

Registry Numbers

CAS Registry Number

  • 2303-01-7

FDA UNII

  • 85ODZ58K3D

Other Registry Numbers

  • 2877-89-6
  • 88492-48-2

Related Registry Number

  • 67763-22-8 (mono-hydrochloride salt)

System Generated Number

  • 0002303017

Structure Descriptors

InChI

InChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3

InChIKey

OLQIKGSZDTXODA-UHFFFAOYSA-N

Smiles

Cc1cc(O)ccc1C2(OS(=O)(=O)c3ccccc23)c4ccc(O)cc4C