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Substance Name: 3-(3-Amino-3-oxopropyl)-2-((4-(diethylamino)-m-tolyl)azo)-6-methylbenzothiazolium chloride
RN: 12221-39-5
InChIKey: MLRQFXBXJXTPHX-UHFFFAOYSA-N

Molecular Formula

  • C22-H28-N5-O-S.Cl

Molecular Weight

  • 446.0162
 
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Names and Synonyms

Synonym

  • EINECS 235-412-1

Systematic Name

  • 3-(3-Amino-3-oxopropyl)-2-((4-(diethylamino)-m-tolyl)azo)-6-methylbenzothiazolium chloride

Registry Numbers

CAS Registry Number

  • 12221-39-5

System Generated Number

  • 0012221395

Molecular Formulas

Molecular Formula

  • C22-H28-N5-O-S.Cl

Molecular Formula Fragments

  • C22-H28-N5-O-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27N5OS.ClH/c1-5-26(6-2)18-10-8-17(14-16(18)4)24-25-22-27(12-11-21(23)28)19-9-7-15(3)13-20(19)29-22;/h7-10,13-14H,5-6,11-12H2,1-4H3,(H-,23,28);1H

InChIKey

MLRQFXBXJXTPHX-UHFFFAOYSA-N

Smiles

CCN(CC)c1ccc(cc1C)/N=N/c2[n+](c3ccc(cc3s2)C)CCC(=O)N.[Cl-]