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Substance Name: Tetrasodium 5,5'-(iminobis((1-hydroxy-3-sulphonato-6,2-naphthylene)azo(5-methoxy-2-methyl-4,1-phenylene)azo))bis(salicylate)
RN: 6535-56-4
InChIKey: BZIVEMCPNYQFGG-VZHURDIQSA-J

Molecular Formula

  • C50-H39-N9-O16-S2.4Na

Molecular Weight

  • 1173.9655
 
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Names and Synonyms

Synonym

  • EINECS 229-444-5

Systematic Name

  • Tetrasodium 5,5'-(iminobis((1-hydroxy-3-sulphonato-6,2-naphthylene)azo(5-methoxy-2-methyl-4,1-phenylene)azo))bis(salicylate)

Registry Numbers

CAS Registry Number

  • 6535-56-4

System Generated Number

  • 0006535564

Molecular Formulas

Molecular Formula

  • C50-H39-N9-O16-S2.4Na

Molecular Formula Fragments

  • C50-H39-N9-O16-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C50H39N9O16S2.4Na/c1-23-13-37(41(74-3)21-35(23)54-52-29-7-11-39(60)33(19-29)49(64)65)56-58-45-43(76(68,69)70)17-25-15-27(5-9-31(25)47(45)62)51-28-6-10-32-26(16-28)18-44(77(71,72)73)46(48(32)63)59-57-38-14-24(2)36(22-42(38)75-4)55-53-30-8-12-40(61)34(20-30)50(66)67;;;;/h5-22,51,60-63H,1-4H3,(H,64,65)(H,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4/b54-52+,55-53+,58-56+,59-57+;;;;

InChIKey

BZIVEMCPNYQFGG-VZHURDIQSA-J

Smiles

Cc1c(cc(c(c1)/N=N/c2c(c3c(cc2S(=O)(=O)[O-])cc(cc3)Nc4cc5c(c(c(c(c5)S(=O)(=O)[O-])/N=N/c6c(cc(c(c6)C)/N=N/c7cc(c(cc7)O)C(=O)[O-])OC)O)cc4)O)OC)/N=N/c8cc(c(cc8)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]