(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯结构式

(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯
中文名称:(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯
英文名称:(3R,4S,5S,6R)-6-chloro-3,4,5-trihydroxy-1-cyclohex-1-enecarboxylate
CAS No.:864064-32-4
分子式:C8H11ClO5 分子量:222.623
(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯 数据
Mol:
  0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4386    5.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    7.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4950    0.0000 O   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  7  2  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
  4 12  1  0  0  0  0
  3 13  1  0  0  0  0
M  CHG  1  10  -1
M  END                                
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(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯 Smile 编码:
ClC1C(C([O-])=O)=CC(O)C(O)C1O
(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯 InChi 编码:
InChI=1/C8H11ClO5/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h2,4-7,10-12H,1H3/t4-,5-,6+,7-/m1/s1
(3R,4S,5S,6R)-6-氯-3,4,5-三羟基-1-环己-1-烯羧酸酯 InChiKey 编码:
AEDMWQPFIPNFCS-MVIOUDGNSA-N