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Substance Name: Hydrogen (4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl(3(or 4)-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3(or 4)-sulphonatobenzyl)ammonium
RN: 85248-89-1
InChIKey: YVNQAIFQFWTPLQ-UHFFFAOYSA-M

Molecular Formula

  • C47-H49-N3-O7-S2

Molecular Weight

  • 831.0422
 
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Names and Synonyms

Synonym

  • EINECS 286-462-6

Systematic Name

  • Hydrogen (4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl(3(or 4)-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3(or 4)-sulphonatobenzyl)ammonium

Registry Numbers

CAS Registry Number

  • 85248-89-1

System Generated Number

  • 0085248891

Structure Descriptors

InChI

1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p-1

InChIKey

YVNQAIFQFWTPLQ-UHFFFAOYSA-M

Smiles

CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(c(c2)C)/C(=C/3\C=C/C(=[N+](/CC)\Cc4cccc(c4)S(=O)(=O)[O-])/C=C3C)/c5ccc(cc5)Nc6ccc(cc6)OCC