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Substance Name: EINECS 251-606-9
RN: 33628-34-1
InChIKey: QEZOVNDUKXREQV-IRTUOLCXSA-H

Molecular Formula

  • C44-H36-N12-O18-S6.6Na

Molecular Weight

  • 1349.1546
 
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Names and Synonyms

Results Name

  • EINECS 251-606-9

Synonym

  • EINECS 251-606-9

Systematic Name

  • Hexasodium 4,4'-bis((2,6-bis(p-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 33628-34-1

System Generated Number

  • 0033628341

Molecular Formulas

Molecular Formula

  • C44-H36-N12-O18-S6.6Na

Molecular Formula Fragments

  • C44-H36-N12-O18-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H40N12O18S6.6Na/c57-75(58,59)35-15-7-29(8-16-35)49-41-45-25-47-43(55-41,51-31-11-19-37(20-12-31)77(63,64)65)53-33-5-3-27(39(23-33)79(69,70)71)1-2-28-4-6-34(24-40(28)80(72,73)74)54-44(52-32-13-21-38(22-14-32)78(66,67)68)48-26-46-42(56-44)50-30-9-17-36(18-10-30)76(60,61)62;;;;;;/h1-26,51-54H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,45,47,49,55)(H2,46,48,50,56);;;;;;/q;6*+1/p-6/b2-1+;;;;;;

InChIKey

QEZOVNDUKXREQV-IRTUOLCXSA-H

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].N(C1(N=C(N=CN1)Nc1ccc(S(=O)(=O)[O-])cc1)Nc1ccc(S(=O)(=O)[O-])cc1)c1cc(S(=O)(=O)[O-])c(/C=C/c2c(S(=O)(=O)[O-])cc(NC3(N=C(N=CN3)Nc3ccc(S(=O)(=O)[O-])cc3)Nc3ccc(S(=O)(=O)[O-])cc3)cc2)cc1