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Substance Name: 2-((4-Chloro-6-morpholino-1,3,5-triazin-2-yl)amino)-5-((1-(2-chloro-5-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonic acid
RN: 93965-05-0
InChIKey: UILLTFJCPXLGON-NVQSTNCTSA-N

Molecular Formula

  • C23-H21-Cl2-N9-O11-S3

Molecular Weight

  • 766.5749
 
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Names and Synonyms

Synonym

  • EINECS 300-953-5

Systematic Name

  • 2-((4-Chloro-6-morpholino-1,3,5-triazin-2-yl)amino)-5-((1-(2-chloro-5-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonic acid

Registry Numbers

CAS Registry Number

  • 93965-05-0

System Generated Number

  • 0093965050

Structure Descriptors

InChI

1S/C23H21Cl2N9O11S3/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29)/b31-30+

InChIKey

UILLTFJCPXLGON-NVQSTNCTSA-N

Smiles

N1(C(=O)C(C(=N1)C)/N=N/c1c(S(=O)(=O)O)cc(c(S(=O)(=O)O)c1)Nc1nc(nc(n1)Cl)N1CCOCC1)c1cc(S(=O)(=O)O)ccc1Cl