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Substance Name: Hydrogen 5-chloro-2-(2-((5-phenyl-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, sodium salt
RN: 67326-80-1
InChIKey: ASOSKAFNSSMLDX-UHFFFAOYSA-M

Molecular Formula

  • C31-H31-Cl-N2-O8-S2.Na

Molecular Weight

  • 683.1748
 
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Names and Synonyms

Synonym

  • EINECS 266-643-6

Systematic Name

  • Hydrogen 5-chloro-2-(2-((5-phenyl-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, sodium salt

Registry Numbers

CAS Registry Number

  • 67326-80-1

System Generated Number

  • 0067326801

Molecular Formulas

Molecular Formula

  • C31-H31-Cl-N2-O8-S2.Na

Molecular Formula Fragments

  • C31-H31-Cl-N2-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H33ClN2O8S2.Na/c1-2-22(19-31-34(15-7-17-44(38,39)40)27-21-25(32)11-13-29(27)42-31)18-30-33(14-6-16-43(35,36)37)26-20-24(10-12-28(26)41-30)23-8-4-3-5-9-23;/h3-5,8-13,18-20,27H,2,6-7,14-17,21H2,1H3,(H-,35,36,37,38,39,40);/q;+1/p-1

InChIKey

ASOSKAFNSSMLDX-UHFFFAOYSA-M

Smiles

CC/C(=C/C1=[N+](C2CC(=CC=C2O1)Cl)CCCS(=O)(=O)[O-])/C=C/3\N(c4cc(ccc4O3)c5ccccc5)CCCS(=O)(=O)[O-].[Na+]