提示: 按住Ctrl键可以同时选择多个官能团
SMILES: CCC(C)C(=O)C(=O)O[Ca]OC(=O)C(=O)C(C)CC.O.O Canonical SMILES: CCC(C(=O)C(=O)O[Ca]OC(=O)C(=O)C(CC)C)C.O.O InChI: InChI=1S/2C6H10O3.Ca.2H2O/c2*1-3-4(2)5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*1H2/q;;+2;;/p-2 InChIKey: QZPKSONRSMXBTM-UHFFFAOYSA-L
CBID:145873 http://www.chembase.cn/molecule-145873.html