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Substance Name: Benzyl orange
RN: 2429-80-3
InChIKey: NJXPQVNXQNPYRT-JUFPZWTKSA-L

Classification Code

  • Mutation Data

Molecular Formula

  • C35-H27-N5-O9-S3.2Na

Molecular Weight

  • 801.786
 
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Names and Synonyms

Name of Substance

  • Benzyl orange

Synonyms

  • Acid Leather Orange BZR
  • Acid Orange 45
  • Benzyl Fast Orange 2RN
  • Benzyl Orange 2R
  • Brown 5R
  • Bucacid Orange R
  • C.I. 22195
  • C.I. Acid Orange 45
  • C.I. Acid Orange 45, disodium salt
  • EINECS 219-389-5
  • Elite Fast Orange R
  • Fenafor Orange R
  • Kca Silk Orange R
  • Macid Milling Orange Propyl
  • Midlon Orange Propyl
  • Milling Fast Orange 2R
  • Milling Fast Orange R
  • Milling Orange R
  • Polar Orange R
  • Sulfonine Orange R
  • Sulphonol Orange R
  • Supranol Orange RA

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 3-amino-4-((4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt
  • Disodium 3-amino-4-((4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 2429-80-3

System Generated Number

  • 0002429803

Molecular Formulas

Molecular Formula

  • C35-H27-N5-O9-S3.2Na

Molecular Formula Fragments

  • C35-H27-N5-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H27N5O9S3.2Na/c1-22-2-16-30(17-3-22)52(47,48)49-29-14-12-28(13-15-29)38-37-26-8-4-23(5-9-26)24-6-10-27(11-7-24)39-40-35-32-19-18-31(50(41,42)43)20-25(32)21-33(34(35)36)51(44,45)46;;/h2-21H,36H2,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-37+,40-39-;;

InChIKey

NJXPQVNXQNPYRT-JUFPZWTKSA-L

Smiles

c12c(cc(S(=O)(=O)[O-])c(c1\N=N/c1ccc(c3ccc(\N=N\c4ccc(OS(c5ccc(C)cc5)(=O)=O)cc4)cc3)cc1)N)cc(S(=O)(=O)[O-])cc2.[Na+].[Na+]