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SMILES: c1c(c(c2c(n1)cccn2)I)O Canonical SMILES: Oc1cnc2c(c1I)nccc2 InChI: InChI=1S/C8H5IN2O/c9-7-6(12)4-11-5-2-1-3-10-8(5)7/h1-4,12H InChIKey: IIIXVGZRTWCKQJ-UHFFFAOYSA-N
CBID:54476 http://www.chembase.cn/molecule-54476.html