Sumilizer S结构式

Sumilizer S
中文名称:Sumilizer S
英文名称:Sumilizer S
CAS No.:69598-85-2
分子式:C19H20O2 分子量:280.360
Sumilizer S 数据
Mol:
-5.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180   -7.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6910   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6910   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9590   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9590   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12  7  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 16  2  0     0  0
M  END                                
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Sumilizer S Smile 编码:
C1=CC=CC=C1.C1=CC(C(O)O)=CC=C1.C1=CC=CC=C1
Sumilizer S InChi 编码:
1S/C7H8O2.2C6H6/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5,7-9H;2*1-6H
Sumilizer S InChiKey 编码:
CVNWRRVAEBMCRS-UHFFFAOYSA-N