Mol:
2414546-93-1.mol by:chem960.com
ChemDraw08031019472D
…………
12.7871 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7040 -0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6140 -1.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6216 -2.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8436 -3.7573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3545 -1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3547 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2700 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2029 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0182 -0.5851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2014 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2720 -2.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5848 -4.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8415 -3.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0182 0.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0182 -0.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 21 2 0 0 0 0
2 4 2 0 0 0 0
3 2 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 1 0 0 0 0
7 8 2 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
10 20 2 0 0 0 0
11 14 2 0 0 0 0
12 13 1 0 0 0 0
14 12 1 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 24 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
18 15 2 0 0 0 0
20 18 1 0 0 0 0
21 8 1 0 0 0 0
22 1 1 0 0 0 0
22 23 1 0 0 0 0
24 26 2 0 0 0 0
25 24 1 0 0 0 0
25 30 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 3 1 0 0 0 0
29 42 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
31 36 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 31 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
38 43 2 0 0 0 0
40 41 1 0 0 0 0
40 39 1 0 0 0 0
42 40 2 0 0 0 0
43 42 1 0 0 0 0
36 44 2 0 0 0
36 45 1 0 0 0
41 46 2 0 0 0
41 47 1 0 0 0
M CHG 4 36 1 41 1 45 -1 47 -1
M END
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1,1'-[亚甲基双(2,6-二乙基-4,1-亚苯基)]双[3-(2-硝基苯基)脲] Smile 编码:
C1(CC)=CC(CC2=CC(=C(NC(NC3C=CC=CC=3[N+]([O-])=O)=O)C(CC)=C2)CC)=CC(CC)=C1NC(NC1C=CC=CC=1[N+]([O-])=O)=O
1,1'-[亚甲基双(2,6-二乙基-4,1-亚苯基)]双[3-(2-硝基苯基)脲] InChi 编码:
1,1'-[亚甲基双(2,6-二乙基-4,1-亚苯基)]双[3-(2-硝基苯基)脲] InChiKey 编码:
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1,1'-[亚甲基双(2,6-二乙基-4,1-亚苯基)]双[3-(2-硝基苯基)脲]
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