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颜料红 60 | 15782-06-6

颜料红 60结构式图片|15782-06-6结构式图片
颜料红 60
Pigment Red 60
15782-06-6
2[C17H9N2O9S2-3].3[Ba+2]
1310.76372
颜料红 60 数据

Mol:

15782-06-6.mol    by:chem960.com
ChemDraw08031019472D

…………

0 0 0 0 0 0 0 0
4.0791 5.6912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 6.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 5.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1595 6.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5191 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5189 4.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1592 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7996 4.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8785 3.3358 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.0934 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2381 2.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6636 4.6954 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.1602 8.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7995 8.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 10.4035 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.3697 10.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8000 11.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2297 10.4038 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.4385 8.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0788 8.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
8 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 20 1 0 0 0 0
20 21 2 0 0 0 0
21 16 1 0 0 0 0
19 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
17 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
28 30 2 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
32 15 1 0 0 0 0
32 33 2 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 37 2 0 0 0 0
38 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 2 0 0 0 0
52 55 1 0 0 0 0
47 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 2 0 0 0 0
58 61 1 0 0 0 0
57 62 1 0 0 0 0
62 45 1 0 0 0 0
62 63 2 0 0 0 0
M CHG 1 1 2
M CHG 1 2 2
M CHG 1 3 2
M CHG 1 6 -1
M CHG 1 25 -1
M CHG 1 31 -1
M CHG 1 36 -1
M CHG 1 55 -1
M CHG 1 61 -1
M END
颜料红 60 InChIKey: ZFVLHBLYOBVABT-SZXFDTLESA-H

颜料红 60 Inchi: InChI=1S/2C17H12N2O9S2.3Ba/c2*20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h2*1-8,18H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;;3*+2/p-6/b2*19-15+;;;

颜料红 60 SMILES: [Ba+2].[Ba+2].[Ba+2].O=C(C1=CC=CC=C1N/N=C1/C(=O)C(S([O-])(=O)=O)=CC2C=C(S([O-])(=O)=O)C=CC/1=2)[O-].O=C(C1=CC=CC=C1N/N=C1/C(=O)C(S([O-])(=O)=O)=CC2C=C(S([O-])(=O)=O)C=CC/1=2)[O-]

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