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Substance Name: Butyl 2-((3-(((2-(diethylamino)-5-((octadecylamino)sulphonyl)phenyl)amino)carbonyl)-4-hydroxy-1-naphthyl)azo)benzoate
RN: 42381-20-4
InChIKey: NXJMKCPFHWVMKG-DBFBYELTSA-N

Molecular Formula

  • C50-H71-N5-O6-S

Molecular Weight

  • 870.2059
 
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Names and Synonyms

Synonym

  • EINECS 255-790-1

Systematic Names

  • Benzoic acid, 2-((3-(((2-(diethylamino)-5-((octadecylamino)sulfonyl)phenyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)azo)-, butyl ester
  • Butyl 2-((3-(((2-(diethylamino)-5-((octadecylamino)sulphonyl)phenyl)amino)carbonyl)-4-hydroxy-1-naphthyl)azo)benzoate

Registry Numbers

CAS Registry Number

  • 42381-20-4

System Generated Number

  • 0042381204

Structure Descriptors

InChI

1S/C50H71N5O6S/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35-51-62(59,60)39-33-34-47(55(7-3)8-4)46(37-39)52-49(57)43-38-45(40-29-24-25-30-41(40)48(43)56)54-53-44-32-27-26-31-42(44)50(58)61-36-10-6-2/h24-27,29-34,37-38,51,56H,5-23,28,35-36H2,1-4H3,(H,52,57)/b54-53+

InChIKey

NXJMKCPFHWVMKG-DBFBYELTSA-N

Smiles

CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(c(c1)NC(=O)c2cc(c3ccccc3c2O)/N=N/c4ccccc4C(=O)OCCCC)N(CC)CC