uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723666
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1ccc2cc(-c3ccc4c(c3)C(O)CCC4(C)C)ccc2c1
- InChIKey
- BELNGOACWRAUAY-UHFFFAOYSA-N
- 分子式
- C25H26O3
- 平均分子量
- 374.5 g/mol
- 单同位素质量
- 374.18819469
COMPUTED
结构计算性质
- XLogP
- 5.8
- 极性表面积
- 46.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 28
- 形式电荷
- 0
- 复杂度
- 556
ALIASES
名称与别名
SCHEMBL6294064BELNGOACWRAUAY-UHFFFAOYSA-Nethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy naphth-2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-naphth -2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-naphth-2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxynaphth-2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dirnethyl-8-hydroxy-naphth-2-yl]naphth-2-oate
REACTIONS
参与反应
uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723666
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查看Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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