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Substance Name: Hydrogen 5-chloro-2(2-((5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, sodium salt
RN: 28118-05-0
InChIKey: XEYGYYHFKMELGA-UHFFFAOYSA-M

Molecular Formula

  • C32-H33-Cl-N2-O8-S2.Na

Molecular Weight

  • 697.2016
 
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Names and Synonyms

Synonym

  • EINECS 248-850-3

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 28118-05-0

System Generated Number

  • 0028118050

Molecular Formulas

Molecular Formula

  • C32-H33-Cl-N2-O8-S2.Na

Molecular Formula Fragments

  • C32-H33-Cl-N2-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H35ClN2O8S2.Na/c1-3-23(18-31-34(15-7-17-44(36,37)38)28-21-26(33)11-13-30(28)43-31)19-32-35(16-14-22(2)45(39,40)41)27-20-25(10-12-29(27)42-32)24-8-5-4-6-9-24;/h4-6,8-13,18-20,22,28H,3,7,14-17,21H2,1-2H3,(H-,36,37,38,39,40,41);/q;+1/p-1

InChIKey

XEYGYYHFKMELGA-UHFFFAOYSA-M

Smiles

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