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Substance Name: Hydrogen 5-phenyl-2-(2-((5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(4-sulphonatobutyl)benzoxazolium, monosodium salt
RN: 53841-35-3
InChIKey: LZMQOKOSGHNMBV-UHFFFAOYSA-M

Molecular Formula

  • C39-H41-N2-O8-S2.Na

Molecular Weight

  • 752.8809
 
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Names and Synonyms

Synonym

  • EINECS 258-820-1

Systematic Name

  • Hydrogen 5-phenyl-2-(2-((5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(4-sulphonatobutyl)benzoxazolium, monosodium salt

Registry Numbers

CAS Registry Number

  • 53841-35-3

System Generated Number

  • 0053841353

Molecular Formulas

Molecular Formula

  • C39-H41-N2-O8-S2.Na

Molecular Formula Fragments

  • C39-H41-N2-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H42N2O8S2.Na/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-27,35H,2,9-12,21-24,28H2,1H3,(H-,42,43,44,45,46,47);/q;+1/p-1

InChIKey

LZMQOKOSGHNMBV-UHFFFAOYSA-M

Smiles

CC/C(=C/C1=[N+](C2CC(=CC=C2O1)c3ccccc3)CCCCS(=O)(=O)[O-])/C=C\4/N(c5cc(ccc5O4)c6ccccc6)CCCCS(=O)(=O)[O-].[Na+]