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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-
RN: 65180-62-3
InChIKey: IVOQXPVUAZBANB-XQQUEIPISA-N

Molecular Formula

  • C31-H30-Cl3-N7-O17-S6

Molecular Weight

  • 1071.36
 
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Names and Synonyms

Synonyms

  • 1,5-Naphthalenedisulfonic acid, 2-((8-((2-chloro-6-(N,N-di(((2-chloroethyl)sulfonyl)ethyl)amino)-1,3,5-triaz-4-yl)amino)-1-hydroxy-3,6-disulfonaphth-2-yl)azo)-
  • EINECS 265-596-9

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-
  • 2-((8-((4-(Bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid

Registry Numbers

CAS Registry Number

  • 65180-62-3

System Generated Number

  • 0065180623

Structure Descriptors

InChI

1S/C31H30Cl3N7O17S6/c32-6-10-59(43,44)12-8-41(9-13-60(45,46)11-7-33)31-37-29(34)36-30(38-31)35-22-16-18(61(47,48)49)14-17-15-24(63(53,54)55)26(27(42)25(17)22)40-39-21-5-4-19-20(28(21)64(56,57)58)2-1-3-23(19)62(50,51)52/h1-5,14-16,42H,6-13H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,35,36,37,38)/b40-39+

InChIKey

IVOQXPVUAZBANB-XQQUEIPISA-N

Smiles

c1(c(ccc2c(cccc12)S(=O)(=O)O)\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)Nc1nc(nc(n1)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)Cl)O)S(=O)(=O)O