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Biebrich scarlet

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Revision as of 09:29, 30 November 2010 by CheMoBot (talk | contribs) (Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref') per Chem/Drugbox validation (report [[Wikipedia_talk:Wi)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
Biebrich scarlet
Names
IUPAC name 2--5-(4-sulfophenyl)diazenyl-benzenesulfonic acid
Other names Croceine scarlet
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.021.895 Edit this at Wikidata
MeSH Biebrich+scarlet
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C22H16N4O7S2/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30/h1-13,25H,(H,28,29,30)(H,31,32,33)/b24-23+,26-22-Key: VJULFVPZZZJPDJ-PUNVMFJJSA-N
  • InChI=1/C22H16N4O7S2.2Na/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2Key: VVAVKBBTPWYADW-NUQVWONBAJ
  • InChI=1/C22H16N4O7S2/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30/h1-13,25H,(H,28,29,30)(H,31,32,33)/b24-23+,26-22-Key: VJULFVPZZZJPDJ-PUNVMFJJBJ
SMILES
  • ..S(=O)(=O)c1ccc(cc1)/N=N/c4ccc(/N=N/c2c3ccccc3ccc2O)c(c4)S()(=O)=O
  • O=S(=O)(O)c4ccc(/N=N/c1ccc(c(c1)S(=O)(=O)O)N/N=C2/c3ccccc3\C=C/C2=O)cc4
Properties
Chemical formula C22H16N4O7S2
Molar mass 512.517
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

Biebrich scarlet (C.I. 26905) is a molecule used in Lillie's trichrome.

See also


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