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Substance Name: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
RN: 5131-70-4
InChIKey: NCIZQSIIFQYLMW-BQYQJAHWSA-N

Molecular Formula

  • C40-H44-N12-O16-S4

Molecular Weight

  • 1077.1196
 
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Names and Synonyms

Synonym

  • EINECS 225-880-5

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 5131-70-4

System Generated Number

  • 0005131704

Structure Descriptors

InChI

1S/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b8-7+

InChIKey

NCIZQSIIFQYLMW-BQYQJAHWSA-N

Smiles

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