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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((((3-((2-chloroethyl)sulfonyl)phenyl)amino)carbonyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-
RN: 6758-66-3
InChIKey: PATSBXJKDVSKQR-JEIPZWNWSA-N

Molecular Formula

  • C29-H23-Cl-N4-O16-S5

Molecular Weight

  • 879.2957
 
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Names and Synonyms

  • 1,5-Naphthalenedisulfonic acid, 2-((8-((((3-((2-chloroethyl)sulfonyl)phenyl)amino)carbonyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((((3-((2-chloroethyl)sulfonyl)phenyl)amino)carbonyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-

Registry Numbers

CAS Registry Number

  • 6758-66-3

System Generated Number

  • 0006758663

Structure Descriptors

InChI

1S/C29H23ClN4O16S5/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44/h1-8,11-14,35H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/b34-33+

InChIKey

PATSBXJKDVSKQR-JEIPZWNWSA-N

Smiles

c1cc(cc(c1)S(=O)(=O)CCCl)NC(=O)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)O)/N=N/c4ccc5c(c4S(=O)(=O)O)cccc5S(=O)(=O)O)O)S(=O)(=O)O