Mol:
13395-16-9.mol by:chem960.com
ChemDraw08031019472D
…………
0
11.6110 4.7100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
10.2513 2.3550 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
8.8916 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8916 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5320 2.3550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 2 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
6 8 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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
13 15 2 0 0 0 0
M CHG 1 1 6
M CHG 1 4 -1
M CHG 1 5 -1
M CHG 1 8 -1
M CHG 1 11 -1
M CHG 1 12 -1
M CHG 1 15 -1
M END
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乙酰丙酮铜 MDL: MFCD00000016
乙酰丙酮铜 InChIKey: QYJPSWYYEKYVEJ-FDGPNNRMSA-L
乙酰丙酮铜 Inchi: InChI=1S/2C5H7O2.Cu/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
乙酰丙酮铜 SMILES: CC(CC(C)=O)=O.CC(CC(C)=O)=O.[Cu]
乙酰丙酮铜 BRN: 4157957