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Substance Name: 3-((1-(4,5-Dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl)sulphonyl)-N-(5-hydroxy-8-((2-(methylsulphonyl)-4-nitrophenyl)azo)-1-naphthyl)benzenesulphonamide
RN: 84285-28-9
InChIKey: CFCNSPRNIQVZPZ-WYYJPGQASA-N

Molecular Formula

  • C48-H58-N4-O11-S3

Molecular Weight

  • 963.2012
 
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Names and Synonyms

Synonym

  • EINECS 282-694-7

Systematic Name

  • 3-((1-(4,5-Dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl)sulphonyl)-N-(5-hydroxy-8-((2-(methylsulphonyl)-4-nitrophenyl)azo)-1-naphthyl)benzenesulphonamide

Registry Numbers

CAS Registry Number

  • 84285-28-9

System Generated Number

  • 0084285289

Structure Descriptors

InChI

1S/C48H58N4O11S3/c1-6-8-9-10-11-12-13-14-15-16-17-25-43(46-38(20-7-2)47(54)32(3)33(4)48(46)55)65(60,61)35-21-18-22-36(31-35)66(62,63)51-41-24-19-23-37-42(53)29-28-40(45(37)41)50-49-39-27-26-34(52(56)57)30-44(39)64(5,58)59/h18-19,21-24,26-31,43,51,53H,6-17,20,25H2,1-5H3/b50-49-

InChIKey

CFCNSPRNIQVZPZ-WYYJPGQASA-N

Smiles

CCCCCCCCCCCCCC(C1=C(C(=O)C(=C(C1=O)C)C)CCC)S(=O)(=O)c2cccc(c2)S(=O)(=O)Nc3cccc4c3c(ccc4O)/N=N\c5ccc(cc5S(=O)(=O)C)[N+](=O)[O-]