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Substance Name: EINECS 274-428-3
RN: 70210-32-1
InChIKey: ALJYWCSPZXLTDA-KGFLNXJKSA-M

Molecular Formula

  • C42-H39-N7-O14-S2.Na

Molecular Weight

  • 951.919
 
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Names and Synonyms

Results Name

  • EINECS 274-428-3

Synonym

  • EINECS 274-428-3

Systematic Names

  • Benzenesulfonic acid, 3-(benzoylamino)-4-hydroxy-5-((1-(((4'-((2-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-, monosodium salt
  • Benzenesulfonic acid, 3-(benzoylamino)-4-hydroxy-5-(2-(1-(((4'-((2-(2-(2-hydroxy-5-(methylsulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)diazenyl)-, sodium salt (1:1)
  • Sodium 3-benzamido-4-hydroxy-5-((1-((4'-((2-((2-hydroxy-5-(methylsulphonyl)phenyl)azo)-1,3-dioxobutyl)amino)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)carbamoyl)-2-oxopropyl)azo)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 70210-32-1

System Generated Number

  • 0070210321

Molecular Formulas

Molecular Formula

  • C42-H39-N7-O14-S2.Na

Molecular Formula Fragments

  • C42-H39-N7-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H39N7O14S2.Na/c1-22(50)37(48-46-31-19-27(64(5,57)58)13-16-34(31)52)41(55)43-29-14-11-25(17-35(29)62-3)26-12-15-30(36(18-26)63-4)44-42(56)38(23(2)51)49-47-33-21-28(65(59,60)61)20-32(39(33)53)45-40(54)24-9-7-6-8-10-24;/h6-21,37-38,52-53H,1-5H3,(H,43,55)(H,44,56)(H,45,54)(H,59,60,61);/q;+1/p-1/b48-46+,49-47+;

InChIKey

ALJYWCSPZXLTDA-KGFLNXJKSA-M

Smiles

S(c1cc(NC(=O)c2ccccc2)c(c(c1)\N=N\[C@@H](C(Nc1c(cc(cc1)c1cc(OC)c(NC([C@@H](\N=N\c2cc(S(=O)(=O)C)ccc2O)C(=O)C)=O)cc1)OC)=O)C(=O)C)O)([O-])(=O)=O.[Na+]