Mol:
68779-22-6.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
17.6756 5.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6756 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 3.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3389 4.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.3389 5.8875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
21.3389 7.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.9089 5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.7689 5.8875 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
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 11 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
33 36 1 0 0 0 0
36 26 1 0 0 0 0
24 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 8 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
41 44 2 0 0 0 0
M END
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UK 18892 Smile 编码:
NCCC(CNC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O)O.OS(=O)(O)=O
UK 18892 InChi 编码:
UK 18892 InChiKey 编码:
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UK 18892
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