Chem
J-GLOBAL ID：200907000977734800
Nikkaji number：J1.045.376C
(3′S)-3′-(4-Nitrophenyl)spiro[1,3-dithiane-2,2′-oxirane]1,3-dioxide
(3′S)-3′-(4-ニトロフェニル)スピロ[1,3-ジチアン-2,2′-オキシラン]1,3-ジオキシド
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
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
Molecular formula： C11H11[N+]O2[O-]3[S+]2
Molecular formula furigana： C11-H11-N-O5-S2
Molecular weight： 301.330
InChI：
InChI=1S/C11H11NO5S2/c13-12(14)9-4-2-8(3-5-9)10-11(17-10)18(15)6-1-7-19(11)16/h2-5,10H,1,6-7H2/t10-,11?,18?,19?/m0/s1
InChI key：
QCPXFEMMCSQKGU-ZNCUHPDBSA-N
SMILES：
[O-][S+]1CCC[S+]([O-])C21O[C@H]2c1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- (3′S)-3′-(4-ニトロフェニル)スピロ[1,3-ジチアン-2,2′-オキシラン]1,3-ジオキシド
- (2S)-2-(4-ニトロフェニル)-1-オキサ-4,8-ジチアスピロ[2.5]オクタン-4,8-ジイウム-4,8-ビス(オラート)
- (2S)-2-(4-nitrophenyl)-1-oxa-4,8-dithiaspiro[2.5]octane-4,8-diium-4,8-bis(olate)
- (3′S)-3′-(4-Nitrophenyl)spiro[1,3-dithiane-2,2′-oxirane]1,3-dioxide
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