Chem
J-GLOBAL ID:200907049184171200   Nikkaji number:J1.409.269B

4,4′-Bis[4-morpholino-6-(1,2-dioxo-3-butenyl)-1,3,5-triazine-2-yl]stilbene-2,2′-bissulfonic acid

4,4′-ビス[4-モルホリノ-6-(1,2-ジオキソ-3-ブテニル)-1,3,5-トリアジン-2-イル]スチルベン-2,2′-ビススルホン酸
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: C36H32N8O12S2
Molecular formula furigana: C36-H32-N8-O12-S2
Molecular weight: 832.820
InChI: InChI=1S/C36H32N8O12S2/c1-3-25(45)29(47)33-37-31(39-35(41-33)43-11-15-55-16-12-43)23-9-7-21(27(19-23)57(49,50)51)5-6-22-8-10-24(20-28(22)58(52,53)54)32-38-34(30(48)26(46)4-2)42-36(40-32)44-13-17-56-18-14-44/h3-10,19-20H,1-2,11-18H2,(H,49,50,51)(H,52,53,54)
InChI key: ULLLEVKDHFNGBZ-UHFFFAOYSA-N
SMILES: OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)c1nc(nc(n1)C(=O)C(=O)C=C)N1CCOCC1)c1nc(nc(n1)C(=O)C(=O)C=C)N1CCOCC1
Systematic name  (3):
  • 4,4′-ビス[4-モルホリノ-6-(1,2-ジオキソ-3-ブテニル)-1,3,5-トリアジン-2-イル]スチルベン-2,2′-ビススルホン酸
  • 5-[4-(モルホリン-4-イル)-6-(2-オキソブタ-3-エノイル)-1,3,5-トリアジン-2-イル]-2-(2-{4-[4-(モルホリン-4-イル)-6-(2-オキソブタ-3-エノイル)-1,3,5-トリアジン-2-イル]-2-スルホフェニル}エテニル)ベンゼン-1-スルホン酸
  • 5-[4-(morpholin-4-yl)-6-(2-oxobut-3-enoyl)-1,3,5-triazin-2-yl]-2-(2-{4-[4-(morpholin-4-yl)-6-(2-oxobut-3-enoyl)-1,3,5-triazin-2-yl]-2-sulfophenyl}ethenyl)benzene-1-sulfonic acid
Other name (1):
  • 4,4′-Bis[4-morpholino-6-(1,2-dioxo-3-butenyl)-1,3,5-triazine-2-yl]stilbene-2,2′-bissulfonic acid
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