Chem
J-GLOBAL ID：200907038028895574   Nikkaji number：J759.159D

1′-(3-Sulfopropyl)-3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]

1′-(3-スルホプロピル)-3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-インドリン]
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： C21H22N[N+]O5[O-]S
Molecular formula furigana： C21-H22-N2-O6-S
Molecular weight： 430.480
InChI： InChI=1S/C21H22N2O6S/c1-20(2)17-6-3-4-7-18(17)22(12-5-13-30(26,27)28)21(20)11-10-15-14-16(23(24)25)8-9-19(15)29-21/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,27,28)
InChI key： WSSRUUUPBPLEFW-UHFFFAOYSA-N
SMILES： CC1(C)c2ccccc2N(CCCS(=O)(=O)O)C21Oc1ccc(cc1C=C2)[N+](=O)[O-]
Systematic name  (7)：
  • 3-[[6-ニトロ-1′,3′-ジヒドロ-3′,3′-ジメチルスピロ[2H-1-ベンゾピラン-2,2′-[2H]インドール]]-1′-イル]プロパン-1-スルホン酸
  • 1′-(3-スルホプロピル)-3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′(3′H)-[1H]インドール]
  • 1′-(3-スルホプロピル)-3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-インドリン]
  • 3-[3,3-ジメチル-6′-ニトロスピロ[1H-インドール-2(3H),2′-[2H-1]ベンゾピラン]-1-イル]プロパン-1-スルホン酸
  • 1′,3′-ジヒドロ-3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-[2H]インドール]-1′-(1-プロパンスルホン酸)
Show all
Other name (5)：
  • 3-[[6-Nitro-1′,3′-dihydro-3′,3′-dimethylspiro[2H-1-benzopyran-2,2′-[2H]indol]]-1′-yl]propane-1-sulfonic acid
  • 1′-(3-Sulfopropyl)-3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′(3′H)-[1H]indole]
  • 1′-(3-Sulfopropyl)-3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]
  • 3-[3,3-Dimethyl-6′-nitrospiro[1H-indole-2(3H),2′-[2H-1]benzopyran]-1-yl]propane-1-sulfonic acid
  • 1′,3′-Dihydro-3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-[2H]indole]-1′-(1-propanesulfonic acid)
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