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Substance Name: 7-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid
RN: 14408-23-2
InChIKey: IRLDXNBDTKDAGY-XAHDOWKMSA-N

Molecular Formula

  • C27-H22-Cl-N7-O11-S3

Molecular Weight

  • 752.16
 
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Names and Synonyms

Synonym

  • EINECS 238-384-9

Systematic Name

  • 7-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 14408-23-2

System Generated Number

  • 0014408232

Structure Descriptors

InChI

1S/C27H22ClN7O11S3/c1-46-17-6-8-20(21(12-17)48(40,41)42)34-35-24-22(49(43,44)45)10-14-9-15(5-7-19(14)25(24)36)29-13-23-31-26(28)33-27(32-23)30-16-3-2-4-18(11-16)47(37,38)39/h2-12,29,36H,13H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33)/b35-34+

InChIKey

IRLDXNBDTKDAGY-XAHDOWKMSA-N

Smiles

c1(S(=O)(=O)O)c(\N=N\c2c(S(=O)(=O)O)cc(cc2)OC)c(O)c2c(c1)cc(NCc1nc(Nc3cc(S(=O)(=O)O)ccc3)nc(n1)Cl)cc2