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Substance Name: 4-((5-((4-((2-Carboxy-4-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
RN: 62223-58-9
InChIKey: OEXWFTBEVWOXEJ-JEIPZWNWSA-N

Molecular Formula

  • C26-H18-Cl-N9-O14-S3

Molecular Weight

  • 812.1282
 
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Names and Synonyms

Synonym

  • EINECS 263-466-6

Systematic Name

  • 4-((5-((4-((2-Carboxy-4-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 62223-58-9

System Generated Number

  • 0062223589

Structure Descriptors

InChI

1S/C26H18ClN9O14S3/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32)/b34-33+

InChIKey

OEXWFTBEVWOXEJ-JEIPZWNWSA-N

Smiles

c1cc(ccc1N2C(=O)C(C(=N2)C(=O)O)/N=N/c3cc(ccc3S(=O)(=O)O)Nc4nc(nc(n4)Cl)Nc5ccc(cc5C(=O)O)S(=O)(=O)O)S(=O)(=O)O