Mol:
52320-59-9.mol by:chem960.com
ChemDraw08031019472D
…………
4.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 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 3 1 0 0 0 0
5 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
M END
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5-乙基异恶唑-3-甲酸 MDL: MFCD05864544
5-乙基异恶唑-3-甲酸 InChIKey: TULZZUANLRGWPM-UHFFFAOYSA-N
5-乙基异恶唑-3-甲酸 Inchi: InChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9)
5-乙基异恶唑-3-甲酸 SMILES: CCC1=CC(=NO1)C(=O)O