Mol:
28631-66-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
13.8069 21.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6623 21.7697 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.3683 14.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3683 13.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3683 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7280 10.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0876 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4473 10.9900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
13.2323 9.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8069 11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6623 12.3497 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
11.0876 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4473 7.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7280 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7280 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3683 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
10 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 2 0 0 0 0
32 35 1 0 0 0 0
24 36 1 0 0 0 0
36 37 2 0 0 0 0
37 21 1 0 0 0 0
20 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 2 0 0 0 0
41 44 1 0 0 0 0
40 45 2 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 2 0 0 0 0
49 38 1 0 0 0 0
M CHG 1 1 1
M CHG 1 2 1
M CHG 1 35 -1
M CHG 1 44 -1
M END
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苯胺蓝(醇溶) Smile 编码:
[Na+].[Na+].OS(C1C=CC(NC2C=CC(C(C3C=C(C)C(N)=C(S([O-])(=O)=O)C=3)=C3C=CC(=NC4C=CC(S([O-])(=O)=O)=CC=4)C=C3)=CC=2)=CC=1)(=O)=O
苯胺蓝(醇溶) InChi 编码:
苯胺蓝(醇溶) InChiKey 编码:
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苯胺蓝(醇溶)
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