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Substance Name: 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-methoxy-5-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, disodium salt, compoundwith 2,2'-iminodiethanol (1:2)
RN: 85169-16-0
InChIKey: PVXXXNZCULCFFZ-INRNMLHDSA-N

Molecular Formula

  • C37-H32-N6-O17-S4.2C4-H11-N-O2.2Na

Molecular Weight

  • 1217.2006
 
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Names and Synonyms

Synonym

  • EINECS 285-960-0

Systematic Name

  • 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-methoxy-5-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, disodium salt, compoundwith 2,2'-iminodiethanol (1:2)

Registry Numbers

CAS Registry Number

  • 85169-16-0

System Generated Number

  • 0085169160

Molecular Formulas

Molecular Formula

  • C37-H32-N6-O17-S4.2C4-H11-N-O2.2Na

Molecular Formula Fragments

  • C37-H32-N6-O17-S4
  • C4-H11-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H32N6O17S4.2C4H11NO2.2Na/c1-17-9-23(15-27(59-3)35(17)63(53,54)55)40-42-31-29(61(47,48)49)13-19-11-21(5-7-25(19)33(31)44)38-37(46)39-22-6-8-26-20(12-22)14-30(62(50,51)52)32(34(26)45)43-41-24-10-18(2)36(64(56,57)58)28(16-24)60-4;2*6-3-1-5-2-4-7;;/h5-16,44-45H,1-4H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);2*5-7H,1-4H2;;/q;;;2*+1/b42-40+,43-41+;;;;

InChIKey

PVXXXNZCULCFFZ-INRNMLHDSA-N

Smiles

[Na+].[Na+].COc1cc(cc(C)c1S(=O)(=O)O)N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(O)c(N=Nc6cc(C)c(c(OC)c6)S(=O)(=O)O)c(cc5c4)S(=O)(=O)O)cc3cc2S(=O)(=O)O.OCCNCCO.OCCNCCO