Mol:
16506-27-7.mol by:chem960.com
ChemDraw08031019472D
…………
0
11.4625 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4625 2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3545 3.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 6.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 8.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 11.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 10.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2750 0.0000 Cl 0 0 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 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 7 1 0 0 0 0
10 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 2 0 0 0 0
15 17 1 0 0 0 0
9 18 1 0 0 0 0
8 19 1 0 0 0 0
19 20 2 0 0 0 0
20 5 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
M END
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宾达氮芥 MDL: MFCD00866481
宾达氮芥 InChIKey: YTKUWDBFDASYHO-UHFFFAOYSA-N
宾达氮芥 Inchi: InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
宾达氮芥 SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O