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Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-
RN: 66085-71-0
InChIKey: FYHAKIYWVTVEOS-VAWYXSNFSA-N

Molecular Formula

  • C42-H46-N14-O10-S2

Molecular Weight

  • 971.045
 
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Names and Synonyms

Synonym

  • EINECS 266-132-8

Systematic Names

  • 4-4'-Bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-

Registry Numbers

CAS Registry Number

  • 66085-71-0

System Generated Number

  • 0066085710

Structure Descriptors

InChI

1S/C42H46N14O10S2/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54)/b12-11+

InChIKey

FYHAKIYWVTVEOS-VAWYXSNFSA-N

Smiles

O=S(=O)(c1cc(ccc1\C=C\c1c(cc(cc1)Nc1nc(nc(n1)Nc1ccccc1)N(CCC(=O)N)CCO)S(=O)(=O)O)Nc1nc(nc(n1)Nc1ccccc1)N(CCC(=O)N)CCO)O