Chem
J-GLOBAL ID：200907028100497699   Nikkaji number：J1.562.960F

3,4′-(1,4,7-Trioxaheptane-1,7-diyl)-3′,4-(1,4,7,10-tetraoxadecane-1,10-diyl)bisbenzenesulfonic acid

3,4′-(1,4,7-トリオキサヘプタン-1,7-ジイル)-3′,4-(1,4,7,10-テトラオキサデカン-1,10-ジイル)ビスベンゼンスルホン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H28O13S2
Molecular formula furigana： C22-H28-O13-S2
Molecular weight： 564.570
InChI： InChI=1S/C22H28O13S2/c23-36(24,25)17-2-4-20-21(15-17)34-13-9-30-6-5-29-7-11-32-19-3-1-18(37(26,27)28)16-22(19)35-14-10-31-8-12-33-20/h1-4,15-16H,5-14H2,(H,23,24,25)(H,26,27,28)
InChI key： GBTHIMOUEOKGBV-UHFFFAOYSA-N
SMILES： OS(=O)(=O)c1ccc2OCCOCCOc3cc(ccc3OCCOCCOCCOc2c1)S(=O)(=O)O
Systematic name  (3)：
  • 3,4′-(1,4,7-トリオキサヘプタン-1,7-ジイル)-3′,4-(1,4,7,10-テトラオキサデカン-1,10-ジイル)ビスベンゼンスルホン酸
  • 2,5,8,15,18,21,24-ヘプタオキサトリシクロ[23.4.0.09,14]ノナコサ-1(29),9,11,13,25,27-ヘキサエン-11,27-ジスルホン酸
  • 2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene-11,27-disulfonic acid
Other name (1)：
  • 3,4′-(1,4,7-Trioxaheptane-1,7-diyl)-3′,4-(1,4,7,10-tetraoxadecane-1,10-diyl)bisbenzenesulfonic acid
Thsaurus map：
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