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Substance Name: EINECS 260-045-9
RN: 56190-26-2
InChIKey: HJRRWDRLTZZDNF-TXPPQYTASA-H

Molecular Formula

  • C42-H46-N14-O20-S6.6Na

Molecular Weight

  • 1391.19
 
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Names and Synonyms

Results Name

  • EINECS 260-045-9

Synonym

  • EINECS 260-045-9

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 56190-26-2

System Generated Number

  • 0056190262

Molecular Formulas

Molecular Formula

  • C42-H46-N14-O20-S6.6Na

Molecular Formula Fragments

  • C42-H46-N14-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H46N14O20S6.6Na/c1-23(57)43-15-3-17-45-37-51-39(55-41(53-37)49-31-21-29(77(59,60)61)11-13-33(31)79(65,66)67)47-27-9-7-25(35(19-27)81(71,72)73)5-6-26-8-10-28(20-36(26)82(74,75)76)48-40-52-38(46-18-4-16-44-24(2)58)54-42(56-40)50-32-22-30(78(62,63)64)12-14-34(32)80(68,69)70;;;;;;/h5-14,19-22H,3-4,15-18H2,1-2H3,(H,43,57)(H,44,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56);;;;;;/q;6*+1/p-6/b6-5+;;;;;;

InChIKey

HJRRWDRLTZZDNF-TXPPQYTASA-H

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)NCCCNC(=O)C)Nc1c(ccc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)NCCCNC(=O)C)Nc1c(ccc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]