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Substance Name: 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(3-(diethylamino)propyl)amino)-1,3,5-triazine-4,2-diyl)))bis-, sodium salt (1:6)
RN: 53499-88-0
InChIKey: CYFXSLZIZABYNS-WOEVDWSHSA-H

Molecular Formula

  • C52-H68-N16-O20-S6.6Na

Molecular Weight

  • 1531.46
 
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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-(aminocarbonyl)ethyl)(3-(diethylamino)propyl)amino)-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-((3-amino-3-oxopropyl)(3-(diethylamino)propyl)amino)-1,3,5-triazine-4,2-diyl)))bis-, hexasodium salt
  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(3-(diethylamino)propyl)amino)-1,3,5-triazine-4,2-diyl)))bis-, sodium salt (1:6)

Registry Numbers

CAS Registry Number

  • 53499-88-0

System Generated Number

  • 0053499880

Molecular Formulas

Molecular Formula

  • C52-H68-N16-O20-S6.6Na

Molecular Formula Fragments

  • C52-H68-N16-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C52H66N14O20S6.6Na/c1-5-63(6-2)23-9-25-65(27-21-45(53)67)51-59-47(39-31-37(87(69,70)71)17-19-41(39)89(75,76)77)57-49(61-51)55-35-15-13-33(43(29-35)91(81,82)83)11-12-34-14-16-36(30-44(34)92(84,85)86)56-50-58-48(40-32-38(88(72,73)74)18-20-42(40)90(78,79)80)60-52(62-50)66(28-22-46(54)68)26-10-24-64(7-3)8-4;;;;;;/h11-20,29-32H,5-10,21-28H2,1-4H3,(H2,53,67)(H2,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,55,57,59,61)(H,56,58,60,62);;;;;;/q;6*+1/p-6/b12-11+;;;;;;

InChIKey

CYFXSLZIZABYNS-WOEVDWSHSA-H

Smiles

CCN(CC)CCCN(CCC(=O)N)c1nc(nc(n1)Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c3ccc(cc3S(=O)(=O)[O-])Nc4nc(nc(n4)N(CCCN(CC)CC)CCC(=O)N)c5cc(ccc5S(=O)(=O)[O-])S(=O)(=O)[O-])c6cc(ccc6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]