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Substance Name: Benzoic acid, 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-4-((2-(sulfooxy)ethyl)sulfonyl)-, potassium sodium salt (1:?:?)
RN: 85940-62-1
InChIKey: ZRRHZSUQHZILQT-UHFFFAOYSA-L

Molecular Formula

  • C23-H18-N2-O13-S3.x-K.x-Na

Molecular Weight

  • 686.666
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-4-((2-(sulfooxy)ethyl)sulfonyl)-, potassium sodium salt
  • EINECS 288-949-9

Systematic Names

  • 2-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulphoanthracen-1-yl)amino)-4-((2-(sulphooxy)ethyl)sulphonyl)benzoic acid, potassium sodium salt
  • Benzoic acid, 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-4-((2-(sulfooxy)ethyl)sulfonyl)-, potassium sodium salt
  • Benzoic acid, 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-4-((2-(sulfooxy)ethyl)sulfonyl)-, potassium sodium salt (1:?:?)

Registry Numbers

CAS Registry Number

  • 85940-62-1

System Generated Number

  • 0085940621

Molecular Formulas

Molecular Formula

  • C23-H18-N2-O13-S3.x-K.x-Na

Molecular Formula Fragments

  • C23-H18-N2-O13-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C23H18N2O13S3.K.Na/c24-20-17(40(32,33)34)10-16(18-19(20)22(27)13-4-2-1-3-12(13)21(18)26)25-15-9-11(5-6-14(15)23(28)29)39(30,31)8-7-38-41(35,36)37;;/h1-6,9-10,25H,7-8,24H2,(H,28,29)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

InChIKey

ZRRHZSUQHZILQT-UHFFFAOYSA-L

Smiles

[K+].[Na+].OC(c1c(cc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])Nc1cc(c(c2C(c3ccccc3C(c12)=O)=O)N)S(=O)(=O)[O-])=O