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Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, compd. with 2-aminoethanol (1:2)
RN: 20206-64-8
InChIKey: KVSBGSSSADXAIS-YHPRVSEPSA-N

Molecular Formula

  • C40-H44-N12-O10-S2.2C2-H7-N-O

Molecular Weight

  • 1039.16
 
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Names and Synonyms

Synonym

  • EINECS 243-594-9

Systematic Names

  • 4,4'-Bis((6-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2-aminoethanol (1:2)
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, compd. with 2-aminoethanol (1:2)

Registry Numbers

CAS Registry Number

  • 20206-64-8

System Generated Number

  • 0020206648

Molecular Formulas

Molecular Formula

  • C40-H44-N12-O10-S2.2C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C40-H44-N12-O10-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C40H44N12O10S2.2C2H7NO/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;2*3-1-2-4/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);2*4H,1-3H2/b12-11+;;

InChIKey

KVSBGSSSADXAIS-YHPRVSEPSA-N

Smiles

C(O)CN.C(CN)O.C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)O)\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)O