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Substance Name: Disodium N-ethyl-N-(4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfobenzenemethanaminium hydroxide
RN: 28120-24-3
UNII: 8J35SRX61M
InChIKey: KVIINSMCFQJGTP-UHFFFAOYSA-L

Molecular Formula

  • C37-H34-N2-O10-S3.2Na

Molecular Weight

  • 808.8576
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfo-, inner salt, sodium salt (1:2)
  • Disodium N-ethyl-N-(4-((4-(ethyl((4-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-4-sulfobenzenemethanaminium hydroxide
  • UNII-8J35SRX61M

Registry Numbers

CAS Registry Number

  • 28120-24-3

FDA UNII

  • 8J35SRX61M

System Generated Number

  • 0028120243

Structure Descriptors

InChI

1S/C37H36N2O10S3.2Na/c1-3-38(24-26-5-18-33(19-6-26)50(41,42)43)30-13-9-28(10-14-30)37(35-22-17-32(40)23-36(35)52(47,48)49)29-11-15-31(16-12-29)39(4-2)25-27-7-20-34(21-8-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2

InChIKey

KVIINSMCFQJGTP-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)c5ccc(cc5S(=O)(=O)[O-])O.[Na+].[Na+]