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SMILES: CCCCC(CC)C(=O)[O-].CC(C)[O-].CC(C)[O-].[Fe+3] Canonical SMILES: [O-]C(C)C.[O-]C(C)C.CCCCC(C(=O)[O-])CC.[Fe+3] InChI: InChI=1S/C8H16O2.2C3H7O.Fe/c1-3-5-6-7(4-2)8(9)10;2*1-3(2)4;/h7H,3-6H2,1-2H3,(H,9,10);2*3H,1-2H3;/q;2*-1;+3/p-1 InChIKey: LMHKERTXMMAVEI-UHFFFAOYSA-M
CBID:303541 http://www.chembase.cn/molecule-303541.html