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Substance Name: EINECS 280-299-4
RN: 83249-31-4
InChIKey: BKBHHQMXBMPRIM-HDUQUYNSSA-J

Molecular Formula

  • C44-H36-N10-O12-S2.4Na

Molecular Weight

  • 1048.8868
 
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Names and Synonyms

Results Name

  • EINECS 280-299-4

Synonym

  • EINECS 280-299-4

Systematic Name

  • Tetrasodium 2,2'-((4,4'-bis((4,5-dihydro-5-imino-3-methyl-1-(8-sulphonato-2-naphthyl)-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-3,3'-diyl)bis(oxy))bisacetate

Registry Numbers

CAS Registry Number

  • 83249-31-4

System Generated Number

  • 0083249314

Molecular Formulas

Molecular Formula

  • C44-H36-N10-O12-S2.4Na

Molecular Formula Fragments

  • C44-H36-N10-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H36N10O12S2.4Na/c1-23-41(43(45)53(51-23)29-13-9-25-5-3-7-37(31(25)19-29)67(59,60)61)49-47-33-15-11-27(17-35(33)65-21-39(55)56)28-12-16-34(36(18-28)66-22-40(57)58)48-50-42-24(2)52-54(44(42)46)30-14-10-26-6-4-8-38(32(26)20-30)68(62,63)64;;;;/h3-20,41-42,45-46H,21-22H2,1-2H3,(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4/b45-43?,46-44?,49-47+,50-48+;;;;

InChIKey

BKBHHQMXBMPRIM-HDUQUYNSSA-J

Smiles

CC1=NN(C(=N)C1/N=N/c2c(cc(cc2)c3cc(c(cc3)/N=N/C4C(=N)N(N=C4C)c5cc6c(cccc6cc5)S(=O)(=O)[O-])OCC(=O)[O-])OCC(=O)[O-])c7cc8c(cccc8cc7)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]