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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, potassium salt (1:1)
RN: 62417-69-0
InChIKey: MTIOEFMLAONEOF-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C37-H36-N2-O8-S2.K

Molecular Weight

  • 738.9195
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62417-69-0

Other Registry Numbers

  • 127750-90-7
  • 168322-58-5
  • 67821-28-7

System Generated Number

  • 0062417690

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O8-S2.K

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C37H36N2O8S2.K/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

MTIOEFMLAONEOF-UHFFFAOYSA-M

Smiles

CC/C(=C/c1[n+](c2cc(ccc2o1)c3ccccc3)CCCS(=O)(=O)[O-])/C=C/4\N(c5cc(ccc5O4)c6ccccc6)CCCS(=O)(=O)[O-].[K+]