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Substance Name: EINECS 229-298-2
RN: 6470-39-9
InChIKey: UCOKCRRSIUMYIV-FFAXOYADSA-M

Molecular Formula

  • C36-H29-Cl-N6-O7-S2.Na

Molecular Weight

  • 779.2272
 
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Names and Synonyms

Results Name

  • EINECS 229-298-2

Synonym

  • EINECS 229-298-2

Systematic Name

  • Sodium 4-chloro-3-(4-((2,2'-dimethyl-4'-((4-((phenylsulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 6470-39-9

System Generated Number

  • 0006470399

Molecular Formulas

Molecular Formula

  • C36-H29-Cl-N6-O7-S2.Na

Molecular Formula Fragments

  • C36-H29-Cl-N6-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H29ClN6O7S2.Na/c1-22-19-26(39-38-25-9-13-28(14-10-25)50-52(48,49)29-7-5-4-6-8-29)11-16-31(22)32-17-12-27(20-23(32)2)40-41-35-24(3)42-43(36(35)44)34-21-30(51(45,46)47)15-18-33(34)37;/h4-21,35H,1-3H3,(H,45,46,47);/q;+1/p-1/b39-38+,41-40+;

InChIKey

UCOKCRRSIUMYIV-FFAXOYADSA-M

Smiles

Cc1cc(ccc1c2ccc(cc2C)/N=N/C3C(=NN(C3=O)c4cc(ccc4Cl)S(=O)(=O)[O-])C)/N=N/c5ccc(cc5)OS(=O)(=O)c6ccccc6.[Na+]