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SMILES: C=CC(=O)OCCCCO Canonical SMILES: OCCCCOC(=O)C=C InChI: InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2 InChIKey: NDWUBGAGUCISDV-UHFFFAOYSA-N
CBID:149910 http://www.chembase.cn/molecule-149910.html