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Substance Name: Benzoic acid, 3,3'-(carbonyldiimino)bis(6-(2-(1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-, sodium salt (1:4)
RN: 72749-83-8
InChIKey: AYXVBBHZXZIFOO-QILDMFASSA-J

Molecular Formula

  • C37-H34-N8-O17-S2.4Na

Molecular Weight

  • 1014.775
 
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Names and Synonyms

Synonym

  • 5,5'-(Carbonyldiimino)bis(2-((1-((2-methoxy-5-sulfophenyl)amino)-1,3-dioxo-2-butyl)azo)benzoic acid), tetrasodium salt

Systematic Names

  • Benzoic acid, 3,3'-(carbonyldiimino)bis(6-((1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)-, tetrasodium salt
  • Benzoic acid, 3,3'-(carbonyldiimino)bis(6-(2-(1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 72749-83-8

System Generated Number

  • 0072749838

Molecular Formulas

Molecular Formula

  • C37-H34-N8-O17-S2.4Na

Molecular Formula Fragments

  • C37-H34-N8-O17-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H34N8O17S2.4Na/c1-17(46)31(33(48)40-27-15-21(63(55,56)57)7-11-29(27)61-3)44-42-25-9-5-19(13-23(25)35(50)51)38-37(54)39-20-6-10-26(24(14-20)36(52)53)43-45-32(18(2)47)34(49)41-28-16-22(64(58,59)60)8-12-30(28)62-4;;;;/h5-16,31-32H,1-4H3,(H,40,48)(H,41,49)(H,50,51)(H,52,53)(H2,38,39,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/b44-42+,45-43+;;;;

InChIKey

AYXVBBHZXZIFOO-QILDMFASSA-J

Smiles

CC(=O)C(/N=N/c1c(cc(cc1)NC(=O)Nc2cc(c(cc2)/N=N/C(C(=O)Nc3c(ccc(c3)S(=O)(=O)[O-])OC)C(=O)C)C(=O)[O-])C(=O)[O-])C(=O)Nc4c(ccc(c4)S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]