Chem
J-GLOBAL ID:200907049580198855   Nikkaji number:J2.754.379K

(3R)-3-[4-(Hydroxymethyl)phenyl]-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide

(3R)-3-[4-(ヒドロキシメチル)フェニル]-2,3-ジヒドロ-1,2-ベンゾイソチアゾール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: C14H13NO[O-]2[S+2]
Molecular formula furigana: C14-H13-N-O3-S
Molecular weight: 275.320
InChI: InChI=1S/C14H13NO3S/c16-9-10-5-7-11(8-6-10)14-12-3-1-2-4-13(12)19(17,18)15-14/h1-8,14-16H,9H2/t14-/m1/s1
InChI key: RKKSXEUREKIMFS-CQSZACIVSA-N
SMILES: OCc1ccc(cc1)[C@H]1N[S+2]([O-])([O-])c2ccccc12
Systematic name  (3):
  • (3R)-3-[4-(ヒドロキシメチル)フェニル]-2,3-ジヒドロ-1,2-ベンゾイソチアゾール1,1-ジオキシド
  • (3R)-3-[4-(ヒドロキシメチル)フェニル]-2,3-ジヒドロ-1H-1,2-ベンゾチアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • (3R)-3-[4-(hydroxymethyl)phenyl]-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
Other name (1):
  • (3R)-3-[4-(Hydroxymethyl)phenyl]-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide
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