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Substance Name: Disodium N-ethyl-N-(4-((4-(ethyl((2-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzenemethanaminium hydroxide
RN: 565430-71-9
UNII: X3J1G4M20S
InChIKey: LIBYYBZCOIDXGZ-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((2-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzenemethanaminium hydroxide

Synonyms

  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((2-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, disodium salt
  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-sulfo-, inner salt, disodium salt
  • Disodium N-ethyl-N-(4-((4-(ethyl((2-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzenemethanaminium hydroxide
  • UNII-X3J1G4M20S

Registry Numbers

CAS Registry Number

  • 565430-71-9

FDA UNII

  • X3J1G4M20S

System Generated Number

  • 0565430719

Structure Descriptors

InChI

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

LIBYYBZCOIDXGZ-UHFFFAOYSA-L

Smiles

CCN(Cc1ccccc1S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5S(=O)(=O)[O-])O.[Na+].[Na+]