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活性绿19 | 61931-49-5

活性绿19结构式图片|61931-49-5结构式图片
活性绿19
reactive green 19 practical grade
61931-49-5
C40H23N15O19S6Cl2-6.6[Na+]
1418.93452
活性绿19 数据

Mol:

61931-49-5.mol    by:chem960.com
ChemDraw08031019472D

…………

0 0 0 0 0 0 0 0 0
10.8830 28.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2425 27.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2422 25.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8832 29.6210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2430 30.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2433 31.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6031 32.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9626 31.9753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.9624 30.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3219 29.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
13.6026 29.6205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6034 34.3305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.9632 35.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9635 36.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3232 37.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6828 36.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6825 35.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3227 34.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3235 39.0400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
17.8935 39.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.3238 40.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7535 39.0403 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.1631 24.9115 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3783 26.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8033 24.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9479 23.5517 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
10.8804 20.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5208 20.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 8 1 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 13 1 0 0 0 0
13 8 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
17 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
10 25 1 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 1 0 0 0 0
29 30 2 0 0 0 0
29 31 2 0 0 0 0
29 32 1 0 0 0 0
28 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 26 1 0 0 0 0
33 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 38 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 2 0 0 0 0
45 48 1 0 0 0 0
42 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 2 0 0 0 0
51 54 1 0 0 0 0
50 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
61 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
71 65 2 0 0 0 0
67 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
74 75 1 0 0 0 0
75 76 2 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 73 1 0 0 0 0
75 79 1 0 0 0 0
79 80 2 0 0 0 0
79 81 2 0 0 0 0
79 82 1 0 0 0 0
59 83 1 0 0 0 0
83 84 2 0 0 0 0
83 85 2 0 0 0 0
83 86 1 0 0 0 0
55 87 1 0 0 0 0
87 41 1 0 0 0 0
87 88 2 0 0 0 0
M CHG 1 1 1
M CHG 1 2 1
M CHG 1 3 1
M CHG 1 4 1
M CHG 1 5 1
M CHG 1 6 1
M CHG 1 24 -1
M CHG 1 32 -1
M CHG 1 48 -1
M CHG 1 54 -1
M CHG 1 82 -1
M CHG 1 86 -1
M END
活性绿19 InChIKey: ZFUHFOADMIPXNV-XCMFEEANSA-H

活性绿19 Inchi: InChI=1S/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,55H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6/b56-54+,57-33-;;;;;;

活性绿19 SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].ClC1=NC(NC2C=CC=C(S([O-])(=O)=O)C=2)=NC(NC2C=CC(/N=N/C3=C(S([O-])(=O)=O)C=C4C=C(/C(/C(=O)C4=C3N)=N/NC3C=CC(NC4=NC(Cl)=NC(NC5C=CC=C(S([O-])(=O)=O)C=5)=N4)=CC=3S([O-])(=O)=O)S([O-])(=O)=O)=C(S([O-])(=O)=O)C=2)=N1

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