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Substance Name: EINECS 275-986-0
RN: 71750-84-0
InChIKey: XDPRLVPAYAGRLO-NITPHVIHSA-N

Molecular Formula

  • C34-H25-Cl3-N10-O11-S3

Molecular Weight

  • 952.188
 
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Names and Synonyms

Results Name

  • EINECS 275-986-0

Synonym

  • EINECS 275-986-0

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2-(4,5-dihydro-3-methyl-4-((4-((4-((2-methyl-4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)benzoyl)amino)-2-sulfophenyl)azo)-5-oxo-1H-pyrazol-1-yl)-
  • 1,4-Benzenedisulfonic acid, 2-(4,5-dihydro-3-methyl-4-(2-(4-((4-(2-(2-methyl-4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)benzoyl)amino)-2-sulfophenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-
  • 2-(4,5-Dihydro-3-methyl-4-((4-((4-((2-methyl-4-((2,5,6-trichloropyrimidin-4-yl)amino)phenyl)azo)benzoyl)amino)-2-sulphophenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid

Registry Numbers

CAS Registry Number

  • 71750-84-0

System Generated Number

  • 0071750840

Structure Descriptors

InChI

1S/C34H25Cl3N10O11S3/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58)/b43-42+,45-44+

InChIKey

XDPRLVPAYAGRLO-NITPHVIHSA-N

Smiles

c1(c(cc(cc1)S(=O)(=O)O)N1N=C([C@@H](C1=O)\N=N\c1c(cc(cc1)NC(c1ccc(cc1)\N=N\c1c(cc(cc1)Nc1nc(nc(c1Cl)Cl)Cl)C)=O)S(=O)(=O)O)C)S(=O)(=O)O