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Substance Name: EINECS 288-534-2
RN: 85750-09-0
InChIKey: HXNWVUPMXDOVKM-KZZCKNBQSA-J

Molecular Formula

  • C37-H29-N9-O14-S3.4Na

Molecular Weight

  • 1007.8115
 
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Names and Synonyms

Results Name

  • EINECS 288-534-2

Synonym

  • EINECS 288-534-2

Systematic Name

  • Tetrasodium N-(4-((4-((4-((1-amino-8-hydroxy-3,6-disulphonato-7-((4-sulphonatophenyl)azo)-2-naphthyl)azo)benzoyl)amino)phenyl)azo)-3-hydroxyphenyl)glycinate

Registry Numbers

CAS Registry Number

  • 85750-09-0

System Generated Number

  • 0085750090

Molecular Formulas

Molecular Formula

  • C37-H29-N9-O14-S3.4Na

Molecular Formula Fragments

  • C37-H29-N9-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H29N9O14S3.4Na/c38-33-32-20(16-30(63(58,59)60)35(36(32)50)46-43-24-9-12-26(13-10-24)61(52,53)54)15-29(62(55,56)57)34(33)45-42-22-3-1-19(2-4-22)37(51)40-21-5-7-23(8-6-21)41-44-27-14-11-25(17-28(27)47)39-18-31(48)49;;;;/h1-17,39,47,50H,18,38H2,(H,40,51)(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/b44-41+,45-42+,46-43+;;;;

InChIKey

HXNWVUPMXDOVKM-KZZCKNBQSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].C(=O)([O-])CNc1cc(c(/N=N/c2ccc(NC(=O)c3ccc(/N=N/c4c(S(=O)(=O)[O-])cc5c(c4N)c(c(c(S(=O)(=O)[O-])c5)/N=N/c4ccc(S(=O)(=O)[O-])cc4)O)cc3)cc2)cc1)O