Mol:
54755-20-3.mol by:chem960.com
ChemDraw08031019472D
…………
0 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4392 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.3574 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
1.3597 0.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.1424 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 2 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 4 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 2 2 0 0 0 0
8 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
M CHG 1 12 1
M CHG 1 14 -1
M END
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6-甲基-1-硝基-萘 InChIKey: NIZJCTDLGCQISP-UHFFFAOYSA-N
6-甲基-1-硝基-萘 Inchi: InChI=1S/C11H9NO2/c1-8-5-6-10-9(7-8)3-2-4-11(10)12(13)14/h2-7H,1H3
6-甲基-1-硝基-萘 SMILES: CC1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-]