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Substance Name: Disodium N-ethyl-N-4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfobenzenemethanaminium
RN: 105666-88-4
UNII: QNV480LDK2
InChIKey: JUOPAVUCOCCTBO-UHFFFAOYSA-L

Molecular Formula

  • C37-H34-N2-O9-S3.2Na

Molecular Weight

  • 792.8586
 
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Names and Synonyms

Name of Substance

  • Disodium N-ethyl-N-4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfobenzenemethanaminium

Synonyms

  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfo-, inner salt, sodium salt
  • Disodium N-ethyl-N-4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfobenzenemethanaminium
  • Disodium salts of ethyl(4-(p-(ethyl(p-sulfobenzyl)amino)-(alpha)-(O-sulfophenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)(p-sulfobenzyl)ammonium hydroxide inner salt
  • UNII-QNV480LDK2

Registry Numbers

CAS Registry Number

  • 105666-88-4

FDA UNII

  • QNV480LDK2

System Generated Number

  • 0105666884

Structure Descriptors

InChI

1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-21-33(22-10-27)49(40,41)42)31-17-13-29(14-18-31)37(35-7-5-6-8-36(35)51(46,47)48)30-15-19-32(20-16-30)39(4-2)26-28-11-23-34(24-12-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2

InChIKey

JUOPAVUCOCCTBO-UHFFFAOYSA-L

Smiles

CCN(Cc1ccc(cc1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4ccc(cc4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].[Na+].[Na+]