Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy-结构式

Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy-
英文名称:Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy-
CAS No.:92791-19-0
分子式:C15H26O3 分子量:254.36514
Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy- 数据
Mol:
 0  0  0  0  0  0  0  0
    5.6516    4.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0662    5.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4807    4.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8300    3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8512    1.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812    1.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  1  0  0  0  0
M  END                                
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Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy- Smile 编码:
C1CCC(C(C2(CCCCCC2)O)C(=O)O)CC1
Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy- InChi 编码:
InChI=1S/C15H26O3/c16-14(17)13(12-8-4-3-5-9-12)15(18)10-6-1-2-7-11-15/h12-13,18H,1-11H2,(H,16,17)
Cycloheptaneacetic acid, a-cyclohexyl-1-hydroxy- InChiKey 编码:
XQOUFQTXPZMJTR-UHFFFAOYSA-N