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SMILES: C1CCCCC1(C(=O)O)C(=O)O Canonical SMILES: OC(=O)C1(CCCCC1)C(=O)O InChI: InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12) InChIKey: QYQADNCHXSEGJT-UHFFFAOYSA-N
CBID:18778 http://www.chembase.cn/molecule-18778.html