Mol:
218916-51-9.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0
8.5978 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9692 -4.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2915 2.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3049 3.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6319 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0461 4.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3731 3.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 2.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0802 4.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 3.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3827 -0.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5985 -2.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7453 -0.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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19 2 1 6 0 0 0
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6 30 2 0 0 0 0
7 31 2 0 0 0 0
8 32 2 0 0 0 0
9 33 2 0 0 0 0
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10 15 1 0 0 0 0
11 12 1 0 0 0 0
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11 48 1 1 0 0 0
12 16 1 0 0 0 0
12 49 1 1 0 0 0
13 17 1 0 0 0 0
16 22 2 0 0 0 0
17 25 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
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18 50 1 1 0 0 0
19 23 1 0 0 0 0
19 26 1 0 0 0 0
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23 24 1 0 0 0 0
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25 29 2 0 0 0 0
30 34 1 0 0 0 0
31 35 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
34 38 2 0 0 0 0
34 39 1 0 0 0 0
36 40 2 0 0 0 0
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39 43 2 0 0 0 0
40 44 1 0 0 0 0
41 45 2 0 0 0 0
42 46 2 0 0 0 0
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44 47 2 0 0 0 0
45 47 1 0 0 0 0
M END
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大戟因子L2 Smile 编码:
O(C(C1C=CC=CC=1)=O)[C@H]1C(=C)C([C@@]2([H])[C@H]([C@@H](C)C[C@@]2(C(C(C)=C[C@]2([H])[C@]([H])(C1)C2(C)C)=O)OC(C)=O)OC(C1C=CC=CC=1)=O)OC(C)=O
大戟因子L2 InChi 编码:
大戟因子L2 InChiKey 编码:
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大戟因子L2
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