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Substance Name: 3-(3-Amino-3-oxopropyl)-2-((4-(benzylethylamino)phenyl)azo)-6-ethoxybenzothiazolium chloride
RN: 85959-18-8
InChIKey: BPTWPFQNQNJDFN-UHFFFAOYSA-N

Molecular Formula

  • C27-H30-N5-O2-S.Cl

Molecular Weight

  • 524.086
 
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Names and Synonyms

Synonym

  • EINECS 289-009-0

Systematic Names

  • 3-(3-Amino-3-oxopropyl)-2-((4-(benzylethylamino)phenyl)azo)-6-ethoxybenzothiazolium chloride
  • Benzothiazolium, 3-(3-amino-3-oxopropyl)-6-ethoxy-2-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-, chloride

Registry Numbers

CAS Registry Number

  • 85959-18-8

System Generated Number

  • 0085959188

Molecular Formulas

Molecular Formula

  • C27-H30-N5-O2-S.Cl

Molecular Formula Fragments

  • C27-H30-N5-O2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29N5O2S.ClH/c1-3-31(19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)29-30-27-32(17-16-26(28)33)24-15-14-23(34-4-2)18-25(24)35-27;/h5-15,18H,3-4,16-17,19H2,1-2H3,(H-,28,33);1H

InChIKey

BPTWPFQNQNJDFN-UHFFFAOYSA-N

Smiles

CCN(Cc1ccccc1)c2ccc(cc2)/N=N/c3[n+](c4ccc(cc4s3)OCC)CCC(=O)N.[Cl-]