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Substance Name: Rylux bsu
RN: 114456-70-1
InChIKey: IWCYXDKDGNKCFU-OWOJBTEDSA-N

Note

  • Rylux BSU is the hexa-Na salt.

Molecular Formula

  • C40-H44-N12-O22-S6

Molecular Weight

  • 1237.2456
 
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Names and Synonyms

Name of Substance

  • Rylux bsu

Synonym

  • 2,2'-(1,2-Ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-1,4-benzenedisulfonic acid

Systematic Name

  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-

Registry Numbers

CAS Registry Number

  • 114456-70-1

Related Registry Number

  • 68971-49-3 (hexa-hydrochloride salt)

System Generated Number

  • 0114456701

Structure Descriptors

InChI

1S/C40H44N12O22S6/c53-15-11-51(12-16-54)39-47-35(45-37(49-39)43-29-21-27(75(57,58)59)7-9-31(29)77(63,64)65)41-25-5-3-23(33(19-25)79(69,70)71)1-2-24-4-6-26(20-34(24)80(72,73)74)42-36-46-38(50-40(48-36)52(13-17-55)14-18-56)44-30-22-28(76(60,61)62)8-10-32(30)78(66,67)68/h1-10,19-22,53-56H,11-18H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b2-1+

InChIKey

IWCYXDKDGNKCFU-OWOJBTEDSA-N

Smiles

c1cc(c(cc1Nc2nc(nc(n2)N(CCO)CCO)Nc3cc(ccc3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/C=C/c4ccc(cc4S(=O)(=O)O)Nc5nc(nc(n5)N(CCO)CCO)Nc6cc(ccc6S(=O)(=O)O)S(=O)(=O)O