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Substance Name: Xylidyl blue I
RN: 36505-52-9
InChIKey: JZQONTDEAKNNEP-BYYHNAKLSA-N

Molecular Formula

  • C25-H21-N3-O6-S

Molecular Weight

  • 491.522
 
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Names and Synonyms

Name of Substance

  • Xylidyl blue I

Synonym

  • EINECS 253-071-7

Systematic Name

  • 3-((4-(((2,4-Dimethylphenyl)amino)carbonyl)-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 36505-52-9

System Generated Number

  • 0036505529

Structure Descriptors

InChI

1S/C25H21N3O6S/c1-14-7-9-20(15(2)11-14)26-25(31)19-13-23(30)24(18-6-4-3-5-17(18)19)28-27-21-12-16(35(32,33)34)8-10-22(21)29/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34)/b28-27+

InChIKey

JZQONTDEAKNNEP-BYYHNAKLSA-N

Smiles

S(c1cc(\N=N\c2c3c(cccc3)c(cc2O)C(Nc2c(cc(cc2)C)C)=O)c(cc1)O)(=O)(=O)O