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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-5-hydroxy-, hexasodium salt
RN: 115099-61-1
InChIKey: BLMQHDUMQLRUIO-TVZSBTLESA-H

Molecular Formula

  • C40-H29-Cl2-N15-O19-S6.6Na

Molecular Weight

  • 1418.9497
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-5-hydroxy-, hexasodium salt

Registry Numbers

CAS Registry Number

  • 115099-61-1

System Generated Number

  • 0115099611

Molecular Formulas

Molecular Formula

  • C40-H29-Cl2-N15-O19-S6.6Na

Molecular Formula Fragments

  • C40-H29-Cl2-N15-O19-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-1-7-22(8-2-18)77(59,60)61)52-39(50-35)46-20-5-11-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)13-17-14-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(6-12-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-3-9-23(10-4-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6/b56-54+,57-55+;;;;;;

InChIKey

BLMQHDUMQLRUIO-TVZSBTLESA-H

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1c(S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Cl)Nc1ccc(S(=O)(=O)[O-])cc1)O)N)/N=N/c1c(S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Cl)Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]