Mol:
39368-85-9.mol by:chem960.com
ChemDraw08031019472D
…………
-1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.5616 -2.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6259 -1.3554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4509 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2134 -0.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2134 -2.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0973 3.5357 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0
-5.0679 2.6813 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0
-5.1268 1.8857 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0
-5.0973 0.9134 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0
-5.0973 -0.1179 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -1.2964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8598 -3.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8286 -3.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7384 -3.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5598 -3.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5598 -2.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 -2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3000 -2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6866 -2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5080 -2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5080 -2.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
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5 8 2 0 0 0 0
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25 28 2 0 0 0 0
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29 32 2 0 0 0 0
33 34 1 0 0 0 0
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37 38 1 0 0 0 0
37 39 1 0 0 0 0
37 40 2 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
41 44 2 0 0 0 0
M CHG 8 1 1 2 -1 3 -1 5 1 6 -1 7 -1 9 1 10 -1
M CHG 8 11 -1 13 1 14 -1 15 -1 17 1 18 -1 19 -1 21 1
M CHG 8 22 -1 23 -1 25 1 26 -1 27 -1 29 1 30 -1 31 -1
M CHG 8 33 1 34 -1 35 -1 37 1 38 -1 39 -1 41 1 42 -1
M CHG 7 43 -1 45 2 46 2 47 2 48 2 49 2 50 1
M END
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硝酸钙铵水合物 Smile 编码:
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[NH4+].O.O.O.O.O.O.O.O.O.O
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