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Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)methylamino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2'-iminobis(ethanol) (1:2:2)
RN: 68975-70-2
InChIKey: PNCQUYNLUKTUQK-PLJHVDPMSA-N

Molecular Formula

  • C38-H40-N12-O14-S4.2C4-H11-N-O2.2Na

Molecular Weight

  • 1273.3198
 
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Names and Synonyms

Synonym

  • 4,4'-Bis((4-(4-sulfoanilino)-6-(N-2-hydroxyethyl-N-methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid, di(diethanolammonium), disodium

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 68975-70-2

System Generated Number

  • 0068975702

Molecular Formulas

Molecular Formula

  • C38-H40-N12-O14-S4.2C4-H11-N-O2.2Na

Molecular Formula Fragments

  • C38-H40-N12-O14-S4
  • C4-H11-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H40N12O14S4.2C4H11NO2.2Na/c1-49(17-19-51)37-45-33(39-25-9-13-29(14-10-25)65(53,54)55)43-35(47-37)41-27-7-5-23(31(21-27)67(59,60)61)3-4-24-6-8-28(22-32(24)68(62,63)64)42-36-44-34(46-38(48-36)50(2)18-20-52)40-26-11-15-30(16-12-26)66(56,57)58;2*6-3-1-5-2-4-7;;/h3-16,21-22,51-52H,17-20H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,39,41,43,45,47)(H2,40,42,44,46,48);2*5-7H,1-4H2;;/q;;;2*+1/b4-3+;;;;

InChIKey

PNCQUYNLUKTUQK-PLJHVDPMSA-N

Smiles

CN(CCO)c1nc(nc(n1)Nc2ccc(c(c2)S(=O)(=O)O)/C=C/c3ccc(cc3S(=O)(=O)O)Nc4nc(nc(n4)N(C)CCO)Nc5ccc(cc5)S(=O)(=O)O)Nc6ccc(cc6)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO.[Na+].[Na+]