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Substance Name: 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid
RN: 70911-43-2
InChIKey: GDGMAJNOWOCSGR-PNBBGTCESA-N

Molecular Formula

  • C27-H25-N6-O12-P-S2

Molecular Weight

  • 720.6305
 
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Names and Synonyms

Synonym

  • EINECS 275-016-6

Systematic Name

  • 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 70911-43-2

System Generated Number

  • 0070911432

Structure Descriptors

InChI

1S/C27H25N6O12PS2/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45)/b30-29+,32-31+

InChIKey

GDGMAJNOWOCSGR-PNBBGTCESA-N

Smiles

Cc1c(c(=O)n(c(c1/N=N/c2ccc(cc2S(=O)(=O)O)/N=N/c3cccc(c3)P(=O)(O)O)O)CCc4ccc(cc4)S(=O)(=O)O)C(=O)N