Mol:
14284-89-0.mol by:chem960.com
ChemDraw08031019472D
…………
6.7983 11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 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
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
8 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
M END
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乙酰丙酮锰 MDL: MFCD00000023
乙酰丙酮锰 InChIKey: BCOBLSSFEZDWKH-BJILWQEISA-M
乙酰丙酮锰 Inchi: 1S/C5H8O2.Mn/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+3/p-1/b4-3+;
乙酰丙酮锰 SMILES: [Mn+3].[O-]/C(/C([H])([H])[H])=C(\[H])/C(C([H])([H])[H])=O