Mol:
15388-64-4.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0 0
6.5155 -2.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9435 -2.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9121 -2.9418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1487 -1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3373 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1320 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7211 -1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5231 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6500 -3.4000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
8.6000 -4.2250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
2 4 2 0 0 0 0
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4 5 1 0 0 0 0
5 6 2 0 0 0 0
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6 7 1 0 0 0 0
7 12 2 0 0 0 0
8 7 1 0 0 0 0
8 9 2 0 0 0 0
10 9 1 0 0 0 0
11 10 2 0 0 0 0
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13 14 1 0 0 0 0
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17 16 2 0 0 0 0
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18 19 2 0 0 0 0
20 19 1 0 0 0 0
21 20 2 0 0 0 0
22 24 2 0 0 0 0
23 24 1 0 0 0 0
25 26 1 0 0 0 0
26 22 1 0 0 0 0
26 21 1 0 0 0 0
27 28 1 0 0 0 0
28 37 2 0 0 0 0
29 30 1 0 0 0 0
29 36 2 0 0 0 0
30 27 2 0 0 0 0
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31 29 1 0 0 0 0
32 33 1 0 0 0 0
33 31 2 0 0 0 0
34 25 2 0 0 0 0
34 35 1 0 0 0 0
35 32 2 0 0 0 0
37 36 1 0 0 0 0
8 26 1 0 0 0
26 30 1 0 0 0
M CHG 8 3 1 8 1 21 1 22 1 25 1 30 1 38 -1 39 -1
M END
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三(2,2'-联吡啶)二碘化镍 Smile 编码:
C1=[N+]2C(C3[N+]([Ni]452([N+]2=CC=CC=C2C2=CC=CC=[N+]42)[N+]2=CC=CC=C2C2[N+]5=CC=CC=2)=CC=CC=3)=CC=C1.[I-].[I-]
三(2,2'-联吡啶)二碘化镍 InChi 编码:
三(2,2'-联吡啶)二碘化镍 InChiKey 编码:
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三(2,2'-联吡啶)二碘化镍
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