Chem
J-GLOBAL ID：200907039406639570   Nikkaji number：J1.739.866K

(3aR)-4,4-Dimethyl-2,3,3aα,9bβ-tetrahydro-4H-1-oxa-5-thia-1H-benzo[e]indene

(3aR)-4,4-ジメチル-2,3,3aα,9bβ-テトラヒドロ-4H-1-オキサ-5-チア-1H-ベンゾ[e]インデン
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： C13H16OS
Molecular formula furigana： C13-H16-O-S
Molecular weight： 220.330
InChI： InChI=1S/C13H16OS/c1-13(2)10-7-8-14-12(10)9-5-3-4-6-11(9)15-13/h3-6,10,12H,7-8H2,1-2H3/t10-,12+/m1/s1
InChI key： KYRKVLLIARXWFJ-PWSUYJOCSA-N
SMILES： CC1(C)Sc2ccccc2[C@@H]2OCC[C@@H]12
Systematic name  (4)：
  • (3aR)-4,4-ジメチル-2,3,3aα,9bβ-テトラヒドロ-4H-1-オキサ-5-チア-1H-ベンゾ[e]インデン
  • (3aR)-4,4-ジメチル-2,3,3aα,9bβ-テトラヒドロ-1-オキサ-5-チア-4H-シクロペンタ[a]ナフタレン
  • (2R,6R)-7,7-ジメチル-3-オキサ-8-チアトリシクロ[7.4.0.02,6]トリデカ-1(13),9,11-トリエン
  • (2R,6R)-7,7-dimethyl-3-oxa-8-thiatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
Other name (2)：
  • (3aR)-4,4-Dimethyl-2,3,3aα,9bβ-tetrahydro-4H-1-oxa-5-thia-1H-benzo[e]indene
  • (3aR)-4,4-Dimethyl-2,3,3aα,9bβ-tetrahydro-1-oxa-5-thia-4H-cyclopenta[a]naphthalene
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