Chem
J-GLOBAL ID:200907048550989754   Nikkaji number:J2.775.101F

3,3′-[Sulfonylbis[1-propyne-3,1-diyl(5-nitro-1,2-phenylene)]]bispropargyl alcohol

3,3′-[スルホニルビス[1-プロピン-3,1-ジイル(5-ニトロ-1,2-フェニレン)]]ビスプロパルギルアルコール
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: C24H16[N+]2O6[O-]2S
Molecular formula furigana: C24-H16-N2-O8-S
Molecular weight: 492.460
InChI: InChI=1S/C24H16N2O8S/c27-13-1-5-19-9-11-23(25(29)30)17-21(19)7-3-15-35(33,34)16-4-8-22-18-24(26(31)32)12-10-20(22)6-2-14-28/h9-12,17-18,27-28H,13-16H2
InChI key: DDSXNZCPUPUQRE-UHFFFAOYSA-N
SMILES: OCC#Cc1ccc(cc1C#CCS(=O)(=O)CC#Cc1cc(ccc1C#CCO)[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3):
  • 3,3′-[スルホニルビス[1-プロピン-3,1-ジイル(5-ニトロ-1,2-フェニレン)]]ビスプロパルギルアルコール
  • 3-[2-(3-{3-[2-(3-ヒドロキシプロパ-1-イン-1-イル)-5-ニトロフェニル]プロパ-2-イン-1-スルホニル}プロパ-1-イン-1-イル)-4-ニトロフェニル]プロパ-2-イン-1-オール
  • 3-[2-(3-{3-[2-(3-hydroxyprop-1-yn-1-yl)-5-nitrophenyl]prop-2-yne-1-sulfonyl}prop-1-yn-1-yl)-4-nitrophenyl]prop-2-yn-1-ol
Other name (1):
  • 3,3′-[Sulfonylbis[1-propyne-3,1-diyl(5-nitro-1,2-phenylene)]]bispropargyl alcohol
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