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SMILES: c1ccc2c(c1)C(=O)NS2(=O)=O.O.[Ca] Canonical SMILES: O=C1NS(=O)(=O)c2c1cccc2.O.[Ca] InChI: InChI=1S/C7H5NO3S.Ca.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2 InChIKey: FJCBEDPGTMUUQL-UHFFFAOYSA-N
CBID:131227 http://www.chembase.cn/molecule-131227.html