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Substance Name: 3-((1-(4-((4-Amino-3-methylbenzoyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxybenzenesulphonic acid
RN: 85895-96-1
InChIKey: OFGPRXSOMRKYQS-ZQHSETAFSA-N

Molecular Formula

  • C24-H21-Cl-N6-O6-S

Molecular Weight

  • 556.9849
 
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Names and Synonyms

Synonym

  • EINECS 288-772-7

Systematic Name

  • 3-((1-(4-((4-Amino-3-methylbenzoyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxybenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 85895-96-1

System Generated Number

  • 0085895961

Structure Descriptors

InChI

1S/C24H21ClN6O6S/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37)/b29-28+

InChIKey

OFGPRXSOMRKYQS-ZQHSETAFSA-N

Smiles

Cc1cc(ccc1N)C(=O)Nc2ccc(cc2)N3C(=O)C(C(=N3)C)/N=N/c4cc(cc(c4O)Cl)S(=O)(=O)O