Chem
J-GLOBAL ID：200907009017643190   Nikkaji number：J2.190.556I

4,4′-[(1S,2R)-1,2-Bis(3,8-dimethyl-5-isopropylazulene-1-yl)ethylene]bis(benzoic acid methyl) ester

4,4′-[(1S,2R)-1,2-ビス(3,8-ジメチル-5-イソプロピルアズレン-1-イル)エチレン]ビス(安息香酸メチル)
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： C48H50O4
Molecular formula furigana： C48-H50-O4
Molecular weight： 690.924
InChI： InChI=1S/C48H50O4/c1-27(2)37-13-11-29(5)43-39(25-37)31(7)23-41(43)45(33-15-19-35(20-16-33)47(49)51-9)46(34-17-21-36(22-18-34)48(50)52-10)42-24-32(8)40-26-38(28(3)4)14-12-30(6)44(40)42/h11-28,45-46H,1-10H3/t45-,46+
InChI key： KFJVVRQTDWUWAP-QWKHHPMFSA-N
SMILES： COC(=O)c1ccc(cc1)[C@@H]([C@H](c1cc(C)c2cc(ccc(C)c12)C(C)C)c1ccc(cc1)C(=O)OC)c1cc(C)c2cc(ccc(C)c12)C(C)C
Systematic name  (3)：
  • 4,4′-[(1S,2R)-1,2-ビス(3,8-ジメチル-5-イソプロピルアズレン-1-イル)エチレン]ビス(安息香酸メチル)
  • メチル 4-[(1R,2S)-1,2-ビス[3,8-ジメチル-5-(プロパン-2-イル)アズレン-1-イル]-2-[4-(メトキシカルボニル)フェニル]エチル]ベンゾアート
  • methyl 4-[(1R,2S)-1,2-bis[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]-2-[4-(methoxycarbonyl)phenyl]ethyl]benzoate
Other name (1)：
  • 4,4′-[(1S,2R)-1,2-Bis(3,8-dimethyl-5-isopropylazulene-1-yl)ethylene]bis(benzoic acid methyl) ester
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