Chem
J-GLOBAL ID:200907000357227020   Nikkaji number:J1.895.792B

2-[4-[1-(3-Sulfopropyl)-3,3-dimethyl-5-(9H-fluorene-9-ylmethoxycarbonylamino)indoline-2-ylidene]-2-butenylidene]-3-oxo-2,3-dihydro-1-benzothiophene 1,1-dioxide

2-[4-[1-(3-スルホプロピル)-3,3-ジメチル-5-(9H-フルオレン-9-イルメトキシカルボニルアミノ)インドリン-2-イリデン]-2-ブテニリデン]-3-オキソ-2,3-ジヒドロ-1-ベンゾチオフェン1,1-ジオキシド
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: C40H36N2O6[O-]2S[S+2]
Molecular formula furigana: C40-H36-N2-O8-S2
Molecular weight: 736.850
InChI: InChI=1S/C40H36N2O8S2/c1-40(2)33-24-26(41-39(44)50-25-32-29-14-5-3-12-27(29)28-13-4-6-15-30(28)32)20-21-34(33)42(22-11-23-51(45,46)47)37(40)19-10-9-18-36-38(43)31-16-7-8-17-35(31)52(36,48)49/h3-10,12-21,24,32H,11,22-23,25H2,1-2H3,(H,41,44)(H,45,46,47)
InChI key: AVFFBDBQDWMFHM-UHFFFAOYSA-N
SMILES: CC1(C)C(=CC=CC=C2C(=O)c3ccccc3[S+2]2([O-])[O-])N(CCCS(=O)(=O)O)c2ccc(NC(=O)OCC3c4ccccc4c4ccccc34)cc12
Systematic name  (3):
  • 2-[4-[1-(3-スルホプロピル)-3,3-ジメチル-5-(9H-フルオレン-9-イルメトキシカルボニルアミノ)インドリン-2-イリデン]-2-ブテニリデン]-3-オキソ-2,3-ジヒドロ-1-ベンゾチオフェン1,1-ジオキシド
  • 2-{4-[5-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-3,3-ジメチル-1-(3-スルホプロピル)-2,3-ジヒドロ-1H-インドール-2-イリデン]ブタ-2-エン-1-イリデン}-3-オキソ-2,3-ジヒドロ-1H-1-ベンゾチオフェン-1,1-ジイウム-1,1-ビス(オラート)
  • 2-{4-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethyl-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]but-2-en-1-ylidene}-3-oxo-2,3-dihydro-1H-1-benzothiophene-1,1-diium-1,1-bis(olate)
Other name (1):
  • 2-[4-[1-(3-Sulfopropyl)-3,3-dimethyl-5-(9H-fluorene-9-ylmethoxycarbonylamino)indoline-2-ylidene]-2-butenylidene]-3-oxo-2,3-dihydro-1-benzothiophene 1,1-dioxide
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