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Substance Name: 3-((1-(3-Chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonic acid
RN: 23969-24-6
InChIKey: LKEVQWMUALHPNS-VHEBQXMUSA-N

Molecular Formula

  • C16-H12-Cl-N5-O7-S

Molecular Weight

  • 453.818
 
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Names and Synonyms

Synonym

  • EINECS 245-958-2

Systematic Name

  • 3-((1-(3-Chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 23969-24-6

System Generated Number

  • 0023969246

Structure Descriptors

InChI

1S/C16H12ClN5O7S/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26/h2-7,14,23H,1H3,(H,27,28,29)/b19-18+

InChIKey

LKEVQWMUALHPNS-VHEBQXMUSA-N

Smiles

N1(C([C@@H](\N=N\c2c(c([N+]([O-])=O)cc(S(=O)(=O)O)c2)O)C(=N1)C)=O)c1cc(Cl)ccc1