Chem
J-GLOBAL ID：200907073948220307   Nikkaji number：J109.491B

Isozonarone

イソゾナロン
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： C21H28O2
Molecular formula furigana： C21-H28-O2
Molecular weight： 312.453
InChI： InChI=1S/C21H28O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h6-8,12,17,19H,5,9-11,13H2,1-4H3/t17-,19-,21+/m1/s1
InChI key： YXWACNOEJIDFIN-QFUCXCTJSA-N
SMILES： CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC1=CC(=O)C=CC1=O
Systematic name  (3)：
  • 2-[[(1R)-1,4,4aβ,5,6,7,8,8a-オクタヒドロ-2,5,5,8aα-テトラメチルナフタレン-1α-イル]メチル]-2,5-シクロヘキサジエン-1,4-ジオン
  • 2-{[(1R,4aR,8aR)-2,5,5,8a-テトラメチル-1,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]メチル}シクロヘキサ-2,5-ジエン-1,4-ジオン
  • 2-{[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
Other name (3)：
  • Isozonarone
  • イソゾナロン
  • 2-[[(1R)-1,4,4aβ,5,6,7,8,8a-Octahydro-2,5,5,8aα-tetramethylnaphthalen-1α-yl]methyl]-2,5-cyclohexadiene-1,4-dione
CAS registry number： 39707-59-0
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