5,5-二苯基海因结构式

中文名称:5,5-二苯基海因
英文名称:Phenytoin
CAS No.:57-41-0
分子式:C15H12N2O2 分子量:252.2680
5,5-二苯基海因 数据
Mol:
 0  0  0  0  0  0  0  0  0  0  0  0
    6.6451    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6451    5.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9152    2.7633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4301    1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8601    1.2702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19  7  1  0  0  0  0
M  END                                
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5,5-二苯基海因 Smile 编码:
O=C1C(C2C([H])=C([H])C([H])=C([H])C=2[H])(C2C([H])=C([H])C([H])=C([H])C=2[H])N([H])C(N1[H])=O
5,5-二苯基海因 InChi 编码:
1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
5,5-二苯基海因 InChiKey 编码:
CXOFVDLJLONNDW-UHFFFAOYSA-N