Mol:
24170-14-7.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
4.8640 8.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 9.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8640 11.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2940 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7240 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9390 4.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 5.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.8500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 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
19 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
19 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
M CHG 1 19 1
M CHG 1 29 -1
M END
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1-Octadecanaminium,N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt Smile 编码:
CCCCCCCCCCCCCCCCCC[N+](CC([O-])=O)(CCO)CCO
1-Octadecanaminium,N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt InChi 编码:
1-Octadecanaminium,N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt InChiKey 编码:
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1-Octadecanaminium,N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt
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