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Substance Name: Sodium 5-((5-(benzoylamino)-2-((1-(4-ethoxy-3-sulphophenyl)-3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)sulphonyl)salicylate
RN: 94087-62-4
InChIKey: FBTXFCHXRBLCGS-FUKGQMOSSA-L

Molecular Formula

  • C49-H61-N5-O11-S2.Na

Molecular Weight

  • 1004.1411
 
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Names and Synonyms

Synonym

  • EINECS 301-954-3

Systematic Name

  • Sodium 5-((5-(benzoylamino)-2-((1-(4-ethoxy-3-sulphophenyl)-3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)sulphonyl)salicylate

Registry Numbers

CAS Registry Number

  • 94087-62-4

System Generated Number

  • 0094087624

Molecular Formulas

Molecular Formula

  • C49-H61-N5-O11-S2.Na

Molecular Formula Fragments

  • C49-H61-N5-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C49H61N5O11S2.2Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-45-49(3,48(59)54(52-45)37-27-31-42(65-5-2)44(33-37)67(62,63)64)53-51-40-29-26-36(50-46(56)35-23-20-19-21-24-35)32-43(40)66(60,61)38-28-30-41(55)39(34-38)47(57)58;;/h19-21,23-24,26-34,55H,4-18,22,25H2,1-3H3,(H,50,56)(H,57,58)(H,62,63,64);;/q;2*+1/p-2/b53-51-;;

InChIKey

FBTXFCHXRBLCGS-FUKGQMOSSA-L

Smiles

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1(C)/N=N\c2ccc(cc2S(=O)(=O)c3ccc(c(c3)C(=O)[O-])O)NC(=O)c4ccccc4)c5ccc(c(c5)S(=O)(=O)[O-])OCC.[Na+].[Na+]