Chem
J-GLOBAL ID：200907042585126173   Nikkaji number：J2.607.479G

Diacetic acid 2,2′-dioxo-3,3′-diiodo-6α,6′α-diethyl-1β,1′β-bi[3-cyclohexene]-5β,5′β-diyl ester

二酢酸2,2′-ジオキソ-3,3′-ジヨード-6α,6′α-ジエチル-1β,1′β-ビ[3-シクロヘキセン]-5β,5′β-ジイル
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： C20H24I2O6
Molecular formula furigana： C20-H24-I2-O6
Molecular weight： 614.215
InChI： InChI=1S/C20H24I2O6/c1-5-11-15(27-9(3)23)7-13(21)19(25)17(11)18-12(6-2)16(28-10(4)24)8-14(22)20(18)26/h7-8,11-12,15-18H,5-6H2,1-4H3/t11-,12-,15+,16+,17-,18-/m0/s1
InChI key： AFIDVZHMQNUGMW-RUQDAACESA-N
SMILES： CC[C@H]1[C@H](OC(=O)C)C=C(I)C(=O)[C@@H]1[C@@H]1[C@@H](CC)[C@H](OC(=O)C)C=C(I)C1=O
Systematic name  (3)：
  • 二酢酸2,2′-ジオキソ-3,3′-ジヨード-6α,6′α-ジエチル-1β,1′β-ビ[3-シクロヘキセン]-5β,5′β-ジイル
  • (1S,1'S,2R,3S,5'S,6'R)-5'-(アセチルオキシ)-2,6'-ジエチル-3',5-ジヨード-2',6-ジオキソ-[1,1'-ビ(シクロヘキサン)]-3',4-ジエン-3-イル アセタート
  • (1S,1'S,2R,3S,5'S,6'R)-5'-(acetyloxy)-2,6'-diethyl-3',5-diiodo-2',6-dioxo-[1,1'-bi(cyclohexane)]-3',4-dien-3-yl acetate
Other name (1)：
  • Diacetic acid 2,2′-dioxo-3,3′-diiodo-6α,6′α-diethyl-1β,1′β-bi[3-cyclohexene]-5β,5′β-diyl ester
Thsaurus map：
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