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Substance Name: 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-(((3-(((5-hydroxy-8-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)-1-naphthalenyl)amino)sulfonyl)phenyl)sulfonyl)amino)-
RN: 42905-20-4
InChIKey: GZQJDLAHWMRYIG-BWQZGDHCSA-N

Molecular Formula

  • C54-H58-N6-O12-S3

Molecular Weight

  • 1079.2802
 
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Names and Synonyms

Synonym

  • N-(4-(2,4-Di-tert-pentylphenoxy)butyl)-1-hydroxy-4-(3-((1-hydroxy-4-((2-methylsulfonyl-4-nitrophenyl)azo)-5-naphthyl)sulfamoyl)benzenesulfonamide)-2-naphthamide

Systematic Names

  • 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-(((3-(((5-hydroxy-8-((2-(methylsulfonyl)-4-nitrophenyl)azo)-1-naphthalenyl)amino)sulfonyl)phenyl)sulfonyl)amino)-
  • 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-(((3-(((5-hydroxy-8-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)-1-naphthalenyl)amino)sulfonyl)phenyl)sulfonyl)amino)-

Registry Numbers

CAS Registry Number

  • 42905-20-4

System Generated Number

  • 0042905204

Structure Descriptors

InChI

1S/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(42(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)41-33-46(38-18-10-11-19-39(38)51(41)62)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-45-21-15-20-40-47(61)26-25-44(50(40)45)57-56-43-24-23-35(60(64)65)31-49(43)73(7,66)67/h10-11,14-27,30-33,58-59,61-62H,8-9,12-13,28-29H2,1-7H3,(H,55,63)/b57-56-

InChIKey

GZQJDLAHWMRYIG-BWQZGDHCSA-N

Smiles

CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(=O)c2cc(c3ccccc3c2O)NS(=O)(=O)c4cccc(c4)S(=O)(=O)Nc5cccc6c5c(ccc6O)/N=N\c7ccc(cc7S(=O)(=O)C)[N+](=O)[O-]