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SMILES: CCC(C)C(c1ccccc1)C(=O)O Canonical SMILES: CCC(C(c1ccccc1)C(=O)O)C InChI: InChI=1S/C12H16O2/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,13,14) InChIKey: NQVALZRLGIRTKX-UHFFFAOYSA-N
CBID:139053 http://www.chembase.cn/molecule-139053.html