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Substance Name: EINECS 268-347-2
RN: 68072-53-7
InChIKey: BAJUOBBOYSPFCD-IRTUOLCXSA-H

Molecular Formula

  • C40-H44-N12-O22-S6.6Na

Molecular Weight

  • 1369.14
 
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Names and Synonyms

Results Name

  • EINECS 268-347-2

Synonym

  • EINECS 268-347-2

Systematic Names

  • 1,3-Benzenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt
  • 1,3-Benzenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)
  • Hexasodium 4,4'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,3-disulphonate)

Registry Numbers

CAS Registry Number

  • 68072-53-7

System Generated Number

  • 0068072537

Molecular Formulas

Molecular Formula

  • C40-H44-N12-O22-S6.6Na

Molecular Formula Fragments

  • C40-H44-N12-O22-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

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

InChIKey

BAJUOBBOYSPFCD-IRTUOLCXSA-H

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1c(cc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1c(cc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]