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3,9-Bis(N-butylsulfamoyl)benzo[1]thieno[2,3-b]dibenzothiophene 5,5,7,7-Tetrtaoxide
SpectraBase Compound ID A9W2zqDP5uC
InChI InChI=1S/C26H28N2O8S4/c1-3-5-11-27-39(33,34)17-7-9-19-21-15-22-20-10-8-18(40(35,36)28-12-6-4-2)14-24(20)38(31,32)26(22)16-25(21)37(29,30)23(19)13-17/h7-10,13-16,27-28H,3-6,11-12H2,1-2H3
InChIKey VRLINNMSONEFTE-UHFFFAOYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C26H28N2O8S4
Exact Mass 624.072851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qMDR5ycnw
Name 3,9-Bis(N-butylsulfamoyl)benzo[1]thieno[2,3-b]dibenzothiophene 5,5,7,7-Tetrtaoxide
Alternate Name(s) 3,9-bis(n-butylsulfamoyl)benzo[1]thieno[2,3-b]dibenzothiophene-5,5,7,7-tetraoxide N(3),N(9)-dibutylbenzo[b][1]benzothieno[3,2-f][1]benzothiophene-3,9-disulfonamide 5,5,7,7-tetraoxide
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Formula C26H28N2O8S4
InChI InChI=1S/C26H28N2O8S4/c1-3-5-11-27-39(33,34)17-7-9-19-21-15-22-20-10-8-18(40(35,36)28-12-6-4-2)14-24(20)38(31,32)26(22)16-25(21)37(29,30)23(19)13-17/h7-10,13-16,27-28H,3-6,11-12H2,1-2H3
InChIKey VRLINNMSONEFTE-UHFFFAOYSA-N
Molecular Weight 624.756 g/mol
SMILES N(S(c1cc2S(c3c(cc-4c(S(c5cc(S(=O)(=O)NCCCC)ccc45)(=O)=O)c3)-c2cc1)(=O)=O)(=O)=O)CCCC
SPLASH splash10-0uea-8001390000-14759d835a8c2b09f89c
Source of Spectrum Y-28-188-2
Wiley ID 1411748