Mol：
16659-50-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
10.8773 11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 12.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 14.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 14.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 14.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 14.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 12.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 16.4850 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 18.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7280 16.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5880 16.4850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 2 0 0 0 0
30 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 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
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
48 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 2 0 0 0 0
62 65 1 0 0 0 0
M CHG 1 1 2
M CHG 1 33 -1
M CHG 1 65 -1
M END
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Butanedioic acid, sulfo-, 1,4-didecyl ester, calcium salt Smile 编码:
[Ca+2].CCCCCCCCCCOC(CC(S([O-])(=O)=O)C(OCCCCCCCCCC)=O)=O.CCCCCCCCCCOC(CC(S([O-])(=O)=O)C(OCCCCCCCCCC)=O)=O
Butanedioic acid, sulfo-, 1,4-didecyl ester, calcium salt InChi 编码:
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Butanedioic acid, sulfo-, 1,4-didecyl ester, calcium salt
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