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Substance Name: Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, sodium salt (1:2)
RN: 72829-38-0
InChIKey: NSHHRCZECSCEJY-UHFFFAOYSA-M

Molecular Formula

  • C41-H39-N5-O6-S2.2Na

Molecular Weight

  • 783.9022
 
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Names and Synonyms

Synonym

  • 5-((4-Diethylamino-3-sulfophenyl)imino)-9-(N-ethyl-N-((3-sulfophenyl)methyl)amino)-7-phenyl-5,7-dihydrobenzo(a)phenazine, disodium salt

Systematic Names

  • Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, disodium salt
  • Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 72829-38-0

System Generated Number

  • 0072829380

Molecular Formulas

Molecular Formula

  • C41-H39-N5-O6-S2.2Na

Molecular Formula Fragments

  • C41-H39-N5-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H39N5O6S2.Na/c1-4-44(5-2)37-22-19-29(24-40(37)54(50,51)52)42-36-26-39-41(34-18-11-10-17-33(34)36)43-35-21-20-31(25-38(35)46(39)30-14-8-7-9-15-30)45(6-3)27-28-13-12-16-32(23-28)53(47,48)49;/h7-26H,4-6,27H2,1-3H3,(H2,47,48,49,50,51,52);/q;+1/p-1

InChIKey

NSHHRCZECSCEJY-UHFFFAOYSA-M

Smiles

[Na+].CCN(CC)c1ccc(Nc2cc3c(nc4ccc(cc4[n+]3c5ccccc5)N(CC)Cc6cccc(c6)S(=O)(=O)[O-])c7ccccc27)cc1S(=O)(=O)[O-]