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Substance Name: 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((2-cyanoethyl)methylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)
RN: 72727-73-2
InChIKey: SBYVCLGFJCPGMS-TXPPQYTASA-H

Molecular Formula

  • C40-H38-N14-O18-S6.6Na

Molecular Weight

  • 1327.1088
 
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Names and Synonyms

Synonym

  • 1,4-Benzenedisulfonic acid, 2,2'-((1,2-ethenediyl)bis(3-sulfo-4,1-phenylene)bis(imino)bis(6-((2-cyanoethyl)methylamino)-s-triazin-4,2-diyl)bis(imino)bis-, hexasodium salt

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((2-cyanoethyl)methylamino)-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-((2-cyanoethyl)methylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)

Registry Numbers

CAS Registry Number

  • 72727-73-2

System Generated Number

  • 0072727732

Molecular Formulas

Molecular Formula

  • C40-H38-N14-O18-S6.6Na

Molecular Formula Fragments

  • C40-H38-N14-O18-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H38N14O18S6.6Na/c1-53(17-3-15-41)39-49-35(47-37(51-39)45-29-21-27(73(55,56)57)11-13-31(29)75(61,62)63)43-25-9-7-23(33(19-25)77(67,68)69)5-6-24-8-10-26(20-34(24)78(70,71)72)44-36-48-38(52-40(50-36)54(2)18-4-16-42)46-30-22-28(74(58,59)60)12-14-32(30)76(64,65)66;;;;;;/h5-14,19-22H,3-4,17-18H2,1-2H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,43,45,47,49,51)(H2,44,46,48,50,52);;;;;;/q;6*+1/p-6/b6-5+;;;;;;

InChIKey

SBYVCLGFJCPGMS-TXPPQYTASA-H

Smiles

CN(CCC#N)c1nc(nc(n1)Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(C)CCC#N)Nc6cc(ccc6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]