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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-(((5(or 6)-((2-chloroethyl)sulfonyl)bicyclo(2.2.1)hept-2-en-2-yl)carbonyl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-
RN: 68156-18-3
InChIKey: NIGNDNPGMMFNQP-JEIPZWNWSA-N

Molecular Formula

  • C30-H26-Cl-N3-O13-S4

Molecular Weight

  • 800.2604
 
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Names and Synonyms

Synonym

  • 5-(((5(6)-(2-Chloroethylsulfonyl)bicyclo(2.2.1)hept-2-ene-2-yl)carbonyl)amino)-4-hydroxy-3-((1-sulfonaphth-2-yl)azo)-2,7-naphthalenedisulfonic acid

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-(((5(or 6)-((2-chloroethyl)sulfonyl)bicyclo(2.2.1)hept-2-en-2-yl)carbonyl)amino)-4-hydroxy-3-((1-sulfo-2-naphthalenyl)azo)-
  • 2,7-Naphthalenedisulfonic acid, 5-(((5(or 6)-((2-chloroethyl)sulfonyl)bicyclo(2.2.1)hept-2-en-2-yl)carbonyl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-

Registry Numbers

CAS Registry Number

  • 68156-18-3

System Generated Number

  • 0068156183

Structure Descriptors

InChI

1S/C30H26ClN3O13S4/c31-7-8-48(37,38)24-12-16-9-17(24)11-21(16)30(36)32-23-14-19(49(39,40)41)10-18-13-25(50(42,43)44)27(28(35)26(18)23)34-33-22-6-5-15-3-1-2-4-20(15)29(22)51(45,46)47/h1-6,10-11,13-14,16-17,24,35H,7-9,12H2,(H,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b34-33+

InChIKey

NIGNDNPGMMFNQP-JEIPZWNWSA-N

Smiles

c1ccc2c(c1)ccc(c2S(=O)(=O)O)/N=N/c3c(cc4cc(cc(c4c3O)NC(=O)C5=CC6CC5CC6S(=O)(=O)CCCl)S(=O)(=O)O)S(=O)(=O)O