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Substance Name: Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, inner salt, ammonium salt (1:3)
RN: 70851-44-4
InChIKey: OQYJPNXEZSOWNS-UHFFFAOYSA-N

Molecular Formula

  • C43-H37-Cl-N9-O13-P-S3.3H3-N

Molecular Weight

  • 1101.53
 
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Names and Synonyms

Synonyms

  • EINECS 274-931-8
  • N-(7-((4-((6-Chloro-4-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-3,5-dihydro-5-(4-methoxy-3-sulfophenyl)-3-phenazinylidene)-N-((3-sulfophenyl)methyl)ethanaminium hydroxide, inner salt, triammonium salt

Systematic Names

  • Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, triammonium salt
  • Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, inner salt, ammonium salt (1:3)
  • Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, inner salt, triammonium salt

Registry Numbers

CAS Registry Number

  • 70851-44-4

Other Registry Number

  • 83984-88-7

System Generated Number

  • 0070851444

Molecular Formulas

Molecular Formula

  • C43-H37-Cl-N9-O13-P-S3.3H3-N

Molecular Formula Fragments

  • C43-H37-Cl-N9-O13-P-S3
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C43H37ClN9O13PS3.3H3N/c1-3-52(24-25-6-4-9-32(18-25)68(57,58)59)29-12-16-34-37(22-29)53(30-13-17-38(66-2)40(23-30)70(63,64)65)36-20-27(10-14-33(36)48-34)45-35-15-11-28(21-39(35)69(60,61)62)47-43-50-41(44)49-42(51-43)46-26-7-5-8-31(19-26)67(54,55)56;;;/h4-23H,3,24H2,1-2H3,(H7,46,47,48,49,50,51,54,55,56,57,58,59,60,61,62,63,64,65);3*1H3

InChIKey

OQYJPNXEZSOWNS-UHFFFAOYSA-N

Smiles

[NH4+].[NH4+].[NH4+].c1cc(cc2[n+](c3cc(ccc3nc12)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)c1cc(c(cc1)OC)S(=O)(=O)[O-])Nc1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)P(=O)([O-])O)S(=O)(=O)[O-]