Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-((4-(((4-((2-(Acetylamino)-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-4-amino-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid
RN: 85959-55-3
InChIKey: PEJDQYYKHVNSAQ-YLAOTLCCSA-N

Molecular Formula

  • C37-H29-N9-O13-S3

Molecular Weight

  • 903.8841
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 289-049-9

Systematic Name

  • 3-((4-(((4-((2-(Acetylamino)-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-4-amino-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 85959-55-3

System Generated Number

  • 0085959553

Structure Descriptors

InChI

1S/C37H29N9O13S3/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53/h2-18,48-49H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)/b44-41+,45-42+,46-43+

InChIKey

PEJDQYYKHVNSAQ-YLAOTLCCSA-N

Smiles

CC(=O)Nc1cc(ccc1/N=N/c2ccc(cc2)NC(=O)c3ccc(cc3)/N=N/c4c(cc5cc(c(c(c5c4N)O)/N=N/c6ccc(cc6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O