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SMILES: C12(c3c(C(=O)CCC2)cccc3)OCCO1 Canonical SMILES: O=C1CCCC2(c3c1cccc3)OCCO2 InChI: InChI=1S/C13H14O3/c14-12-6-3-7-13(15-8-9-16-13)11-5-2-1-4-10(11)12/h1-2,4-5H,3,6-9H2 InChIKey: YTLZIHUJDGTWMP-UHFFFAOYSA-N
CBID:248276 http://www.chembase.cn/molecule-248276.html