1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)-结构式

1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)-
中文名称:1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)-
英文名称:1,6-Isobenzofurandione,3-(3-furanyl)-3,3a,4,5-tetrahydro-3a,7-dimethyl-, (3R,3aR)-
CAS No.:128475-17-2
分子式:C14H14O4 分子量:246.258564472198
1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)- 数据
Mol:
 0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516   -0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -0.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4535   -0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180    0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7311    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  2  0      
  4  9  1  0      
  1  9  1  0      
  1 10  2  0      
  7 11  2  0      
  8 12  1  0      
  4 13  1  1      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17 18  2  0      
 14 18  1  0      
  3 16  1  1      
M  END                                
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1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)- Smile 编码:
C1(=O)C2[C@@](C)(CCC(=O)C=2C)[C@H](C2C=COC=2)O1
1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)- InChi 编码:
1S/C14H14O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,12H,3,5H2,1-2H3/t12-,14+/m0/s1
1,6-异苯并呋喃二酮,3-(3-呋喃基)-3,3a,4,5-四氢-3a,7-二甲基-(3R,3aR)- InChiKey 编码:
CGHVUSLIWOGTID-GXTWGEPZSA-N