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Substance Name: Disodium 1-amino-4-((3-((2-bromo-1-oxoallyl)amino)-2,4,6-trimethyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
RN: 65147-24-2
InChIKey: TVWBPUZDERZRMO-UHFFFAOYSA-L

Molecular Formula

  • C26-H22-Br-N3-O9-S2.2Na

Molecular Weight

  • 708.472
 
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Names and Synonyms

Synonym

  • EINECS 265-515-7

Systematic Name

  • Disodium 1-amino-4-((3-((2-bromo-1-oxoallyl)amino)-2,4,6-trimethyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 65147-24-2

System Generated Number

  • 0065147242

Molecular Formulas

Molecular Formula

  • C26-H22-Br-N3-O9-S2.2Na

Molecular Formula Fragments

  • C26-H22-Br-N3-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H22BrN3O9S2.2Na/c1-10-21(11(2)25(41(37,38)39)12(3)22(10)30-26(33)13(4)27)29-16-9-17(40(34,35)36)20(28)19-18(16)23(31)14-7-5-6-8-15(14)24(19)32;;/h5-9,29H,4,28H2,1-3H3,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

InChIKey

TVWBPUZDERZRMO-UHFFFAOYSA-L

Smiles

Cc1c(c(c(c(c1NC(=O)C(=C)Br)C)S(=O)(=O)[O-])C)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+]