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Substance Name: Disodium 1-amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
RN: 94021-07-5
InChIKey: KJEMTYTWBBEVOC-UHFFFAOYSA-L

Molecular Formula

  • C26-H17-Cl2-N5-O9-S2.2Na

Molecular Weight

  • 722.4485
 
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Names and Synonyms

Synonym

  • EINECS 301-400-0

Systematic Name

  • Disodium 1-amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 94021-07-5

System Generated Number

  • 0094021075

Molecular Formulas

Molecular Formula

  • C26-H17-Cl2-N5-O9-S2.2Na

Molecular Formula Fragments

  • C26-H17-Cl2-N5-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H17Cl2N5O9S2.2Na/c1-10-15(6-11(43(37,38)39)7-16(10)31-26(36)14-8-19(27)32-33-25(14)28)30-17-9-18(44(40,41)42)22(29)21-20(17)23(34)12-4-2-3-5-13(12)24(21)35;;/h2-9,30H,29H2,1H3,(H,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

InChIKey

KJEMTYTWBBEVOC-UHFFFAOYSA-L

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(cc(S(=O)(=O)[O-])c2N)Nc1c(c(NC(=O)c2c(nnc(c2)Cl)Cl)cc(S(=O)(=O)[O-])c1)C.[Na+].[Na+]