Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 229-702-7
RN: 6661-40-1
InChIKey: OPOPGFDDBYCDEO-MQYLNTHMSA-M

Molecular Formula

  • C44-H39-N3-O8-S2.Na

Molecular Weight

  • 823.919
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • EINECS 229-702-7

Synonym

  • EINECS 229-702-7

Systematic Names

  • Benzenesulfonic acid, 2-ethoxy-5-((4-((4-((4-ethoxy-3-sulfophenyl)amino)phenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)amino)-, monosodium salt
  • Benzenesulfonic acid, 2-ethoxy-5-((4-((4-((4-ethoxy-3-sulfophenyl)amino)phenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)amino)-, sodium salt (1:1)
  • Sodium hydrogen -2-ethoxy-5-((4-((4-((4-ethoxy-3-sulphonatophenyl)amino)phenyl)-(1H-indol-3-yl-1-methyl-2-phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 6661-40-1

System Generated Number

  • 0006661401

Molecular Formulas

Molecular Formula

  • C44-H39-N3-O8-S2.Na

Molecular Formula Fragments

  • C44-H39-N3-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H39N3O8S2.Na/c1-4-54-38-25-23-34(27-40(38)56(48,49)50)45-32-19-15-29(16-20-32)42(43-36-13-9-10-14-37(36)47(3)44(43)31-11-7-6-8-12-31)30-17-21-33(22-18-30)46-35-24-26-39(55-5-2)41(28-35)57(51,52)53;/h6-28,45H,4-5H2,1-3H3,(H,48,49,50)(H,51,52,53);/q;+1/p-1/b42-30-,46-33+;

InChIKey

OPOPGFDDBYCDEO-MQYLNTHMSA-M

Smiles

[Na+].c1(c(ccc(c1)\N=C1\C=C\C(C=C1)=C(/c1c(n(c2ccccc12)C)c1ccccc1)c1ccc(cc1)Nc1cc(c(cc1)OCC)S(=O)(=O)O)OCC)S(=O)(=O)[O-]