颜料绿 36 | 14302-13-7

颜料绿 36结构式图片|14302-13-7结构式图片
颜料绿 36
[1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper
14302-13-7
C32N8Cl10Br6-2.Cu+2
1393.896
颜料绿 36 数据

Mol:

14302-13-7.mol    by:chem960.com
ChemDraw08031019472D

…………

0 0 0
4.9030 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9030 7.1101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2627 4.7551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6224 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1970 4.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7670 4.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5520 2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1220 2.7193 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.7670 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5520 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
8.1970 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4120 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.4120 2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8420 2.7193 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
10.3417 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3417 7.1101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9820 4.7551 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0
7.6224 11.8201 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
10 3 1 0 0 0 0
10 11 1 0 0 0 0
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 6 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 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
25 17 1 0 0 0 0
25 26 1 0 0 0 0
18 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
38 30 1 0 0 0 0
38 39 1 0 0 0 0
31 40 1 0 0 0 0
40 41 1 0 0 0 0
41 29 2 0 0 0 0
40 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 2 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 2 0 0 0 0
52 44 1 0 0 0 0
52 53 1 0 0 0 0
45 54 2 0 0 0 0
54 55 1 0 0 0 0
55 12 2 0 0 0 0
54 56 1 0 0 0 0
56 43 1 0 0 0 0
27 57 1 0 0 0 0
57 16 1 0 0 0 0
M CHG 1 1 2
M CHG 1 56 -1
M CHG 1 57 -1
M END
颜料绿 36 InChIKey: JRJLLXQDXANQEC-UHFFFAOYSA-N

颜料绿 36 Inchi: InChI=1S/C32Br6Cl10N8.Cu/c33-9-1-4(15(39)12(36)20(9)44)28-49-25(1)53-31-7-8(18(42)23(47)14(38)17(7)41)32(56-31)54-26-2-5(16(40)13(37)21(45)10(2)34)29(50-26)55-30-6-3(27(51-28)52-30)11(35)22(46)24(48)19(6)43;/q-2;+2

颜料绿 36 SMILES: [Cu+2].ClC1C(Cl)=C(Br)C2C3=NC4[N-]C(=C5C(Br)=C(Cl)C(Br)=C(Cl)C5=4)N=C4N=C(C5C(Cl)=C(Cl)C(Br)=C(Cl)C=54)N=C4[N-]C(C5C(Cl)=C(Br)C(Cl)=C(Br)C=54)=NC(C=2C=1Cl)=N3

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