Mol:
16773-42-5.mol by:chem960.com
ChemDraw08031019472D
…………
44 2.9580 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.0595 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5238 0.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.6728 0.0000 C 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
3 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 2 0 0 0 0
8 10 1 0 0 0 0
7 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 6 1 0 0 0 0
13 14 1 0 0 0 0
M CHG 1 8 1
M CHG 1 10 -1
M END
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奥硝唑 MDL: MFCD00057960
奥硝唑 InChIKey: IPWKIXLWTCNBKN-UHFFFAOYSA-N
奥硝唑 Inchi: 1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
奥硝唑 SMILES: ClC([H])([H])C([H])(C([H])([H])N1C(=C([H])N=C1C([H])([H])[H])[N+](=O)[O-])O[H]
奥硝唑 BRN: 0614299