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Substance Name: Pentasodium 3,3'-((2,4,6-trimethyl-5-sulphonato-1,3-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-4,1-phenylene)azo))bisnaphthalene-1,5-disulphonate
RN: 73398-38-6
InChIKey: STUBSYFXAWRMOI-CJBRTSKASA-I

Molecular Formula

  • C51-H42-Cl2-N16-O17-S5.5Na

Molecular Weight

  • 1492.1343
 
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Names and Synonyms

Synonym

  • EINECS 277-437-0

Systematic Name

  • Pentasodium 3,3'-((2,4,6-trimethyl-5-sulphonato-1,3-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-4,1-phenylene)azo))bisnaphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 73398-38-6

System Generated Number

  • 0073398386

Molecular Formulas

Molecular Formula

  • C51-H42-Cl2-N16-O17-S5.5Na

Molecular Formula Fragments

  • C51-H42-Cl2-N16-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C51H42Cl2N16O17S5.5Na/c1-22-43(58-50-62-46(52)60-48(64-50)56-27-12-14-35(37(18-27)54-25(4)70)68-66-29-16-33-31(41(20-29)89(78,79)80)8-6-10-39(33)87(72,73)74)23(2)45(91(84,85)86)24(3)44(22)59-51-63-47(53)61-49(65-51)57-28-13-15-36(38(19-28)55-26(5)71)69-67-30-17-34-32(42(21-30)90(81,82)83)9-7-11-40(34)88(75,76)77;;;;;/h6-21H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;;/q;5*+1/p-5/b68-66+,69-67+;;;;;

InChIKey

STUBSYFXAWRMOI-CJBRTSKASA-I

Smiles

Cc1c(c(c(c(c1Nc2nc(nc(n2)Nc3cc(c(cc3)/N=N/c4cc(c5c(c4)c(ccc5)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)Cl)C)S(=O)(=O)[O-])C)Nc6nc(nc(n6)Nc7cc(c(cc7)/N=N/c8cc(c9c(c8)c(ccc9)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)Cl.[Na+].[Na+].[Na+].[Na+].[Na+]