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Substance Name: 3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride
RN: 12221-37-3
InChIKey: VZOOHWGPNLPIHR-UHFFFAOYSA-N

Molecular Formula

  • C21-H24-Cl2-N5-O2-S.Cl

Molecular Weight

  • 516.8786
 
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Names and Synonyms

Synonym

  • EINECS 235-410-0

Systematic Name

  • 3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride

Registry Numbers

CAS Registry Number

  • 12221-37-3

System Generated Number

  • 0012221373

Molecular Formulas

Molecular Formula

  • C21-H24-Cl2-N5-O2-S.Cl

Molecular Formula Fragments

  • C21-H24-Cl2-N5-O2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23Cl2N5O2S.ClH/c1-30-17-6-7-18-19(14-17)31-21(28(18)11-8-20(24)29)26-25-15-2-4-16(5-3-15)27(12-9-22)13-10-23;/h2-7,14H,8-13H2,1H3,(H-,24,29);1H

InChIKey

VZOOHWGPNLPIHR-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)sc([n+]2CCC(=O)N)/N=N/c3ccc(cc3)N(CCCl)CCCl.[Cl-]