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Substance Name: Disodium 3-((4-amino-9,10-dihydro-9,10-dioxo-3-(2-sulphonato-4-(1,1,3,3-tetramethylbutyl)phenoxy)-1-anthryl)amino)-2,4,6-trimethylbenzenesulphonate
RN: 73398-28-4
InChIKey: VVIVVAIHOWVTHB-UHFFFAOYSA-L

Molecular Formula

  • C37-H40-N2-O9-S2.2Na

Molecular Weight

  • 764.8242
 
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Names and Synonyms

Synonym

  • EINECS 277-428-1

Systematic Name

  • Disodium 3-((4-amino-9,10-dihydro-9,10-dioxo-3-(2-sulphonato-4-(1,1,3,3-tetramethylbutyl)phenoxy)-1-anthryl)amino)-2,4,6-trimethylbenzenesulphonate

Registry Numbers

CAS Registry Number

  • 73398-28-4

System Generated Number

  • 0073398284

Molecular Formulas

Molecular Formula

  • C37-H40-N2-O9-S2.2Na

Molecular Formula Fragments

  • C37-H40-N2-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H40N2O9S2.2Na/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6;;/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

InChIKey

VVIVVAIHOWVTHB-UHFFFAOYSA-L

Smiles

Cc1cc(c(c(c1Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)Oc5ccc(cc5S(=O)(=O)[O-])C(C)(C)CC(C)(C)C)C)S(=O)(=O)[O-])C.[Na+].[Na+]