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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-
RN: 65180-72-5
InChIKey: SCJOJGUFIWRWSC-ULDVOPSXSA-N

Molecular Formula

  • C27-H28-Cl3-N7-O14-S5

Molecular Weight

  • 941.242
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-
  • 2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-

Registry Numbers

CAS Registry Number

  • 65180-72-5

System Generated Number

  • 0065180725

Structure Descriptors

InChI

1S/C27H28Cl3N7O14S5/c28-5-9-52(39,40)11-7-37(8-12-53(41,42)10-6-29)27-33-25(30)32-26(34-27)31-20-15-19(55(46,47)48)13-16-14-21(56(49,50)51)23(24(38)22(16)20)36-35-17-1-3-18(4-2-17)54(43,44)45/h1-4,13-15,38H,5-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,31,32,33,34)/b36-35+

InChIKey

SCJOJGUFIWRWSC-ULDVOPSXSA-N

Smiles

O=S(=O)(c1cc2c(c(cc(c2)S(=O)(=O)O)Nc2nc(nc(n2)Cl)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)c(c1\N=N\c1ccc(cc1)S(=O)(=O)O)O)O