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Substance Name: 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
RN: 47910-88-3
InChIKey: BCSZQTDMXPAYQX-BQYQJAHWSA-N

Molecular Formula

  • C36-H36-N12-O14-S4

Molecular Weight

  • 989.0144
 
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Names and Synonyms

Synonym

  • EINECS 256-341-2

Systematic Name

  • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid

Registry Numbers

CAS Registry Number

  • 47910-88-3

System Generated Number

  • 0047910883

Structure Descriptors

InChI

1S/C36H36N12O14S4/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b8-7+

InChIKey

BCSZQTDMXPAYQX-BQYQJAHWSA-N

Smiles

c1cc(cc(c1)S(=O)(=O)O)Nc2nc(nc(n2)Nc3ccc(c(c3)S(=O)(=O)O)/C=C/c4ccc(cc4S(=O)(=O)O)Nc5nc(nc(n5)Nc6cccc(c6)S(=O)(=O)O)NCCO)NCCO