Chem
J-GLOBAL ID：200907022721782747
Nikkaji number：J2.535.224F
3,3′-(2,2-Dimethyl-1,3-dioxolane-4α,5β-diyl)bis[(E)-1-(4-chlorophenyl)-2-bromo-2-propene-1-ol]
3,3′-(2,2-ジメチル-1,3-ジオキソラン-4α,5β-ジイル)ビス[(E)-1-(4-クロロフェニル)-2-ブロモ-2-プロペン-1-オール]
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
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
Molecular formula： C23H22Br2Cl2O4
Molecular formula furigana： C23-H22-BR2-CL2-O4
Molecular weight： 593.130
InChI：
InChI=1S/C23H22Br2Cl2O4/c1-23(2)30-19(11-17(24)21(28)13-3-7-15(26)8-4-13)20(31-23)12-18(25)22(29)14-5-9-16(27)10-6-14/h3-12,19-22,28-29H,1-2H3/b17-11+,18-12+/t19-,20-,21?,22?/m1/s1
InChI key：
GVORACREZPPUED-AIQGMAKJSA-N
SMILES：
CC1(C)O[C@H](/C=C(/Br)\C(O)c2ccc(Cl)cc2)[C@H](O1)/C=C(/Br)\C(O)c1ccc(Cl)cc1
Systematic name (3)：
- 3,3′-(2,2-ジメチル-1,3-ジオキソラン-4α,5β-ジイル)ビス[(E)-1-(4-クロロフェニル)-2-ブロモ-2-プロペン-1-オール]
- (2E)-2-ブロモ-3-[(4R,5R)-5-[(1E)-2-ブロモ-3-(4-クロロフェニル)-3-ヒドロキシプロパ-1-エン-1-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-1-(4-クロロフェニル)プロパ-2-エン-1-オール
- (2E)-2-bromo-3-[(4R,5R)-5-[(1E)-2-bromo-3-(4-chlorophenyl)-3-hydroxyprop-1-en-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-chlorophenyl)prop-2-en-1-ol
- 3,3′-(2,2-Dimethyl-1,3-dioxolane-4α,5β-diyl)bis[(E)-1-(4-chlorophenyl)-2-bromo-2-propene-1-ol]
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