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SMILES: c1(cc(c2c(n1)CCCO2)C=O)I Canonical SMILES: O=Cc1cc(I)nc2c1OCCC2 InChI: InChI=1S/C9H8INO2/c10-8-4-6(5-12)9-7(11-8)2-1-3-13-9/h4-5H,1-3H2 InChIKey: LXUCYTODVKMHCI-UHFFFAOYSA-N
CBID:54526 http://www.chembase.cn/molecule-54526.html