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Substance Name: Benzenesulfonic acid, 2-(2-(4-((4-(bis(2-hydroxyethyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-5-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2'-iminobis(ethanol)
RN: 93804-40-1
InChIKey: LTVXZOXKLCZXCZ-TYYBGVCCSA-N

Molecular Formula

  • C38-H44-N12-O13-S3.x-C4-H11-N-O2.x-Na

Molecular Weight

  • 1078.1705
 
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Names and Synonyms

Synonym

  • EINECS 298-415-7

Systematic Name

  • Benzenesulfonic acid, 2-(2-(4-((4-(bis(2-hydroxyethyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-5-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2'-iminobis(ethanol)

Registry Numbers

CAS Registry Number

  • 93804-40-1

System Generated Number

  • 0093804401

Molecular Formulas

Molecular Formula

  • C38-H44-N12-O13-S3.x-C4-H11-N-O2.x-Na

Molecular Formula Fragments

  • C38-H44-N12-O13-S3
  • C4-H11-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H44N12O13S3.C4H11NO2/c51-17-11-48(12-18-52)37-45-35(46-38(47-37)50-15-21-63-22-16-50)41-29-6-4-26(32(24-29)66(59,60)61)2-1-25-3-5-28(23-31(25)65(56,57)58)40-34-42-33(43-36(44-34)49-13-19-62-20-14-49)39-27-7-9-30(10-8-27)64(53,54)55;6-3-1-5-2-4-7/h1-10,23-24,51-52H,11-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,41,45,46,47)(H2,39,40,42,43,44);5-7H,1-4H2/b2-1+;

InChIKey

LTVXZOXKLCZXCZ-TYYBGVCCSA-N

Smiles

OCCNCCO.OCCN(CCO)c1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(Nc5ccc(cc5)S(=O)(=O)O)nc(n4)N6CCOCC6)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)nc(n1)N7CCOCC7