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SMILES: s1c(ccc1)C(=O)C=O.O Canonical SMILES: O=CC(=O)c1cccs1.O InChI: InChI=1S/C6H4O2S.H2O/c7-4-5(8)6-2-1-3-9-6;/h1-4H;1H2 InChIKey: XVUUXSJGTMJGAX-UHFFFAOYSA-N
CBID:77807 http://www.chembase.cn/molecule-77807.html