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Substance Name: 4-Amino-3,6-bis((4-((4-chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid
RN: 51357-74-5
InChIKey: XYDRRDJXSZKEAP-RMDWEAKOSA-N

Molecular Formula

  • C40-H29-Cl2-N15-O19-S6

Molecular Weight

  • 1287.0571
 
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Names and Synonyms

Synonym

  • EINECS 257-151-2

Systematic Name

  • 4-Amino-3,6-bis((4-((4-chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 51357-74-5

System Generated Number

  • 0051357745

Structure Descriptors

InChI

1S/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)/b56-54+,57-55+

InChIKey

XYDRRDJXSZKEAP-RMDWEAKOSA-N

Smiles

c1cc(cc(c1)S(=O)(=O)O)Nc2nc(nc(n2)Cl)Nc3ccc(c(c3)S(=O)(=O)O)/N=N/c4c(cc5cc(c(c(c5c4N)O)/N=N/c6ccc(cc6S(=O)(=O)O)Nc7nc(nc(n7)Cl)Nc8cccc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O