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Substance Name: Hydrogen 5-phenyl-3-(3-sulphonatopropyl)-2-(2-((3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)benzoxazolium, lithium salt
RN: 81424-68-2
InChIKey: ZZLSTJSAGLXMLZ-UHFFFAOYSA-M

Molecular Formula

  • C31-H32-N2-O8-S2.Li

Molecular Weight

  • 632.6807
 
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Names and Synonyms

Synonym

  • EINECS 279-761-8

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81424-68-2

System Generated Number

  • 0081424682

Molecular Formulas

Molecular Formula

  • C31-H32-N2-O8-S2.Li

Molecular Formula Fragments

  • C31-H32-N2-O8-S2
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C31H34N2O8S2.Li/c1-2-23(20-30-32(16-8-18-42(34,35)36)26-12-6-7-13-28(26)40-30)21-31-33(17-9-19-43(37,38)39)27-22-25(14-15-29(27)41-31)24-10-4-3-5-11-24;/h3-7,10-15,20-21,27H,2,8-9,16-19,22H2,1H3,(H-,34,35,36,37,38,39);/q;+1/p-1

InChIKey

ZZLSTJSAGLXMLZ-UHFFFAOYSA-M

Smiles

[Li+].CC/C(=C/C1=[N+](C2CC(=CC=C2O1)c3ccccc3)CCCS(=O)(=O)[O-])/C=C\4/N(c5ccccc5O4)CCCS(=O)(=O)[O-]