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SMILES: C1C(=O)O[Ca]OC(=O)CC1(C(=O)O[Ca]OC(=O)C1(CC(=O)O[Ca]OC(=O)C1)O)O.O.O.O.O Canonical SMILES: O=C(C1(O)CC(=O)O[Ca]OC(=O)C1)O[Ca]OC(=O)C1(O)CC(=O)O[Ca]OC(=O)C1.O.O.O.O InChI: InChI=1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;;3*+2;;;;/p-6 InChIKey: LNIZKKFWMDARJV-UHFFFAOYSA-H
CBID:147687 http://www.chembase.cn/molecule-147687.html