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Substance Name: EINECS 273-669-1
RN: 68992-04-1
InChIKey: SUBLOPDCYPEQCZ-VWWFRWDYSA-L

Molecular Formula

  • C27-H25-N6-O12-P-S2.2Na

Molecular Weight

  • 764.595
 
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Names and Synonyms

Results Name

  • EINECS 273-669-1

Synonym

  • EINECS 273-669-1

Systematic Names

  • Benzenesulfonic acid, 2-((5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)azo)-5-((3-phosphonophenyl)azo)-, disodium salt
  • Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)diazenyl)-5-(2-(3-phosphonophenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 2-((5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphonatophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 68992-04-1

System Generated Number

  • 0068992041

Molecular Formulas

Molecular Formula

  • C27-H25-N6-O12-P-S2.2Na

Molecular Formula Fragments

  • C27-H25-N6-O12-P-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H25N6O12PS2.2Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/b30-29+,32-31+;;

InChIKey

SUBLOPDCYPEQCZ-VWWFRWDYSA-L

Smiles

[Na+].[Na+].c1(c(ccc(c1)\N=N\c1cc(ccc1)P(=O)([O-])O)\N=N\c1c(n(c(c(c1C)C(=O)N)=O)CCc1ccc(cc1)S(=O)(=O)O)O)S(=O)(=O)[O-]