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Substance Name: 1,5-Naphthalenedisulfonic acid, 3,3'-(1,4-piperazinediylbis((6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-4,1-phenylene)azo))bis-, tetrasodium salt
RN: 81898-60-4
InChIKey: RPSNSSBOKQJRSO-SKTQBPFFSA-J

Molecular Formula

  • C46-H38-Cl2-N16-O14-S4.4Na

Molecular Weight

  • 1326.0026
 
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Names and Synonyms

Synonym

  • EC 400-010-9

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 3,3'-(1,4-piperazinediylbis((6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-4,1-phenylene)azo))bis-, tetrasodium salt
  • Tetrasodium 3,3'-(piperazine-1,4-diyl-bis((6-chloro-1,3,5-triazine-2,4-diyl)amino(2-acetylamino-4,1-phenylene)azo))bis(naphthalene-1,5-disulfonate)

Registry Numbers

CAS Registry Number

  • 81898-60-4

System Generated Number

  • 0081898604

Molecular Formulas

Molecular Formula

  • C46-H38-Cl2-N16-O14-S4.4Na

Molecular Formula Fragments

  • C46-H38-Cl2-N16-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C46H38Cl2N16O14S4.4Na/c1-23(65)49-35-19-25(9-11-33(35)61-59-27-17-31-29(39(21-27)81(73,74)75)5-3-7-37(31)79(67,68)69)51-43-53-41(47)55-45(57-43)63-13-15-64(16-14-63)46-56-42(48)54-44(58-46)52-26-10-12-34(36(20-26)50-24(2)66)62-60-28-18-32-30(40(22-28)82(76,77)78)6-4-8-38(32)80(70,71)72;;;;/h3-12,17-22H,13-16H2,1-2H3,(H,49,65)(H,50,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,51,53,55,57)(H,52,54,56,58);;;;/q;4*+1/p-4/b61-59+,62-60+;;;;

InChIKey

RPSNSSBOKQJRSO-SKTQBPFFSA-J

Smiles

CC(=O)Nc1c(ccc(c1)Nc2nc(nc(n2)N3CCN(CC3)c4nc(nc(n4)Nc5cc(c(cc5)/N=N/c6cc(c7c(c6)c(ccc7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)Cl)Cl)/N=N/c8cc(c9c(c8)c(ccc9)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]