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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-(2-(4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)
RN: 63059-47-2
InChIKey: MVIBIOVQVNUAFO-IANWBZOYSA-L

Molecular Formula

  • C49-H54-N4-O12-S2.2Na

Molecular Weight

  • 999.0778
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)azo)-4-hydroxy-, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-(2-(4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 63059-47-2

System Generated Number

  • 0063059472

Molecular Formulas

Molecular Formula

  • C49-H54-N4-O12-S2.2Na

Molecular Formula Fragments

  • C49-H54-N4-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C49H54N4O12S2.2Na/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;;/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b53-52+;;

InChIKey

MVIBIOVQVNUAFO-IANWBZOYSA-L

Smiles

CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(=O)c2cc(c3ccccc3c2O)Oc4ccc(cc4)/N=N/c5c(cc6cc(cc(c6c5O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]