Chem
J-GLOBAL ID:200907073472599779   Nikkaji number:J1.930.482E

(3aS)-3aβ-Methyl-1,2,3,3a,9,9aα-hexahydrocyclopenta[b][1]benzothiopyran 4,4-dioxide

(3aS)-3aβ-メチル-1,2,3,3a,9,9aα-ヘキサヒドロシクロペンタ[b][1]ベンゾチオピラン4,4-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: C13H16[O-]2[S+2]
Molecular formula furigana: C13-H16-O2-S
Molecular weight: 236.330
InChI: InChI=1S/C13H16O2S/c1-13-8-4-6-11(13)9-10-5-2-3-7-12(10)16(13,14)15/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-,13+/m1/s1
InChI key: SKDSCQFEKSTLGV-YPMHNXCESA-N
SMILES: C[C@]12CCC[C@@H]1Cc1ccccc1[S+2]2([O-])[O-]
Systematic name  (3):
  • (3aS)-3aβ-メチル-1,2,3,3a,9,9aα-ヘキサヒドロシクロペンタ[b][1]ベンゾチオピラン4,4-ジオキシド
  • (3S,7R)-3-メチル-2-チアトリシクロ[7.4.0.03,7]トリデカ-1(13),9,11-トリエン-2,2-ジイウム-2,2-ビス(オラート)
  • (3S,7R)-3-methyl-2-thiatricyclo[7.4.0.03,7]trideca-1(13),9,11-triene-2,2-diium-2,2-bis(olate)
Other name (1):
  • (3aS)-3aβ-Methyl-1,2,3,3a,9,9aα-hexahydrocyclopenta[b][1]benzothiopyran 4,4-dioxide
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