当前位置: 首页 » 资料 » 化学物质数据库 » [3-(2-methoxyphenyl)-4-oxochromen-7-yl] 4-(2-chlorophenoxy)butanoate,

[3-(2-methoxyphenyl)-4-oxochromen-7-yl] 4-(2-chlorophenoxy)butanoate,

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:2
摘 要: [3-(2-methoxyphenyl)-4-oxochromen-7-yl] 4-(2-chlorophenoxy)butanoate,Canonical SMILES: COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=CC=CC=C4Cl,InChI: InChI=1/C26H21ClO6/c1-30-22-9-4-2-7-18(22)20-16-32-24-15-17(12-13-19(24),26(20)29)33-25(28)11-
[Synonyms]

[Structure]
 [3-(2-methoxyphenyl)-4-oxochromen-7-yl] 4-(2-chlorophenoxy)butanoate,

[ Properties Computed from Structure]
Molecular Weight464.89434 [g/mol]
Molecular FormulaC26H21ClO6
XLogP5.8
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count9
Exact Mass464.102666
MonoIsotopic Mass464.102666
Topological Polar Surface Area71.1
Heavy Atom Count33
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [3-(2-methoxyphenyl)-4-oxochromen-7-yl] 4-(2-chlorophenoxy)butanoate
Canonical SMILES: COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=CC=CC=C4Cl
InChI: InChI=1/C26H21ClO6/c1-30-22-9-4-2-7-18(22)20-16-32-24-15-17(12-13-19(24)
26(20)29)33-25(28)11-6-14-31-23-10-5-3-8-21(23)27/h2-5,7-10,12-13,
15-16H,6,11,14H2,1H3

 
本文导航:
  • (1) [3-(2-methoxyphenyl)-4-oxochromen-7-yl] 4-(2-chlorophenoxy)butanoate,
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注