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SMILES: O=C(C1(c2ccccc2I)CC1)O Canonical SMILES: OC(=O)C1(CC1)c1ccccc1I InChI: InChI=1S/C10H9IO2/c11-8-4-2-1-3-7(8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13) InChIKey: SPKWYBISQDBMIA-UHFFFAOYSA-N
CBID:88364 http://www.chembase.cn/molecule-88364.html