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Substance Name: Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1)
RN: 33628-03-4
InChIKey: MDBAEQGNAMHPTI-UHFFFAOYSA-M

Molecular Formula

  • C37-H36-N2-O8-S2.Na

Molecular Weight

  • 722.812
 
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Names and Synonyms

Synonym

  • EINECS 251-603-2

Systematic Names

  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1)
  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, sodium salt
  • Hydrogen 5-phenyl-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

  • 33628-03-4

Other Registry Number

  • 121382-66-9

System Generated Number

  • 0033628034

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O8-S2.Na

Molecular Formula Fragments

  • C37-H36-N2-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);/q;+1/p-1

InChIKey

MDBAEQGNAMHPTI-UHFFFAOYSA-M

Smiles

c12c(OC(\N2CCCS(=O)(=O)[O-])=C\C(CC)=C\c2[n+](CCCS(=O)(=O)[O-])c3cc(ccc3o2)c2ccccc2)ccc(c2ccccc2)c1.[Na+]