Ethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoate

HCID 19695074

基本情報

標準SMILES
CCOC(=O)c1ccc(/C=C/c2cccc3c2C(Sc2ccccc2)=CCC3(C)C)cc1
InChIKey
AGIAQCIVHMCLJF-DTQAZKPQSA-N
分子式
C29H28O2S
平均分子量
440.6 g/mol

名称と識別子

優先名称
Ethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoate
IUPAC
ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoate

名称と別名

AGIAQCIVHMCLJF-DTQAZKPQSA-NEthyl (E)-4-[2-(5 6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalenyl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoateethyl (E)4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalenyl)ethenyl]benzoate

データベース識別子

PubChem CID
19695074

物性

構造計算による物性

XLogP
8.2
極性表面積
51.6 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
7
重原子数
32

関連反応

18 件

関連ノート

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