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Substance Name: Hydrogen 5-methyl-2-(2-((5-phenyl-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, lithium salt
RN: 81556-16-3
InChIKey: AMSZRVPXRKLMIV-UHFFFAOYSA-M

Molecular Formula

  • C32-H34-N2-O8-S2.Li

Molecular Weight

  • 646.7075
 
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Names and Synonyms

Synonym

  • EINECS 279-782-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81556-16-3

System Generated Number

  • 0081556163

Molecular Formulas

Molecular Formula

  • C32-H34-N2-O8-S2.Li

Molecular Formula Fragments

  • C32-H34-N2-O8-S2
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C32H36N2O8S2.Li/c1-3-24(20-31-33(15-7-17-43(35,36)37)27-19-23(2)11-13-29(27)41-31)21-32-34(16-8-18-44(38,39)40)28-22-26(12-14-30(28)42-32)25-9-5-4-6-10-25;/h4-6,9-14,20-22,27H,3,7-8,15-19H2,1-2H3,(H-,35,36,37,38,39,40);/q;+1/p-1

InChIKey

AMSZRVPXRKLMIV-UHFFFAOYSA-M

Smiles

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