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Substance Name: Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, sodium salt (1:4)
RN: 68003-32-7
InChIKey: HLWSEWGRCMHSTC-MBCFVHIPSA-N

Molecular Formula

  • C40-H42-N12-O15-S4.4Na

Molecular Weight

  • 1151.0648
 
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Names and Synonyms

Synonym

  • 4-((4-Morpholino-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-4'-((4-bis(2-hydroxyethyl)amino-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid, tetrasodium salt

Systematic Names

  • Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, sodium salt (1:4)
  • Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 68003-32-7

System Generated Number

  • 0068003327

Molecular Formulas

Molecular Formula

  • C40-H42-N12-O15-S4.4Na

Molecular Formula Fragments

  • C40-H42-N12-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H42N12O15S4.4Na/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)68(55,56)57)45-37(49-39)43-29-5-3-25(33(23-29)70(61,62)63)1-2-26-4-6-30(24-34(26)71(64,65)66)44-38-46-36(48-40(50-38)52-17-21-67-22-18-52)42-28-9-13-32(14-10-28)69(58,59)60;;;;/h1-14,23-24,53-54H,15-22H2,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/b2-1+;;;;

InChIKey

HLWSEWGRCMHSTC-MBCFVHIPSA-N

Smiles

c1cc(ccc1Nc2nc(nc(n2)N3CCOCC3)Nc4ccc(c(c4)S(=O)(=O)O)/C=C/c5ccc(cc5S(=O)(=O)O)Nc6nc(nc(n6)N(CCO)CCO)Nc7ccc(cc7)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]