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Substance Name: Pentasodium 7-((3-(acetylamino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino)-2-sulphonatophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate
RN: 73398-35-3
InChIKey: IBAMSWYXGYXUQF-XJUZYCMFSA-I

Molecular Formula

  • C41-H29-Cl-N10-O18-S5.5Na

Molecular Weight

  • 1255.4256
 
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Names and Synonyms

Synonym

  • EINECS 277-433-9

Systematic Name

  • Pentasodium 7-((3-(acetylamino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino)-2-sulphonatophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate

Registry Numbers

CAS Registry Number

  • 73398-35-3

System Generated Number

  • 0073398353

Molecular Formulas

Molecular Formula

  • C41-H29-Cl-N10-O18-S5.5Na

Molecular Formula Fragments

  • C41-H29-Cl-N10-O18-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H29ClN10O18S5.5Na/c1-17(53)44-26-13-20(51-52-28-15-24-18(11-32(28)74(65,66)67)10-21(71(56,57)58)14-31(24)73(62,63)64)6-8-25(26)46-40-48-39(42)49-41(50-40)47-27-12-19(7-9-30(27)72(59,60)61)45-29-16-33(75(68,69)70)36(43)35-34(29)37(54)22-4-2-3-5-23(22)38(35)55;;;;;/h2-16,45H,43H2,1H3,(H,44,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,46,47,48,49,50);;;;;/q;5*+1/p-5/b52-51+;;;;;

InChIKey

IBAMSWYXGYXUQF-XJUZYCMFSA-I

Smiles

CC(=O)Nc1cc(ccc1Nc2nc(nc(n2)Cl)Nc3cc(ccc3S(=O)(=O)[O-])Nc4cc(c(c5c4C(=O)c6ccccc6C5=O)N)S(=O)(=O)[O-])/N=N/c7cc8c(cc(cc8S(=O)(=O)[O-])S(=O)(=O)[O-])cc7S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]