(E)-3-acetyloxy-6-ethoxy-6-oxidanyl-4-oxidanylidene-5-(phenylcarbonyl)hex-5-enoic acid

Systemtic Name: (E)-3-acetyloxy-6-ethoxy-6-oxidanyl-4-oxidanylidene-5-(phenylcarbonyl)hex-5-enoic acid Openeye Name: (E)-3-acetoxy-5-benzoyl-6-ethoxy-6-hydroxy-4-oxo-hex-5-enoic acid CAS Name: (E)-3-acetyloxy-5-benzoyl-6-ethoxy-6-hydroxy-4-oxo-5-hexenoic acid IUPAC Name: (E)-3-acetyloxy-5-benzoyl-6-ethoxy-6-hydroxy-4-oxohex-5-enoic acid Traditional Name: (E)-3-acetoxy-5-benzoyl-6-ethoxy-6-hydroxy-4-keto-hex-5-enoic acid Formula: C17H18O8 MolecularWeight: 350.32002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC=CC=C1)C(=O)C(CC(=O)O)OC(=O)C)O

Isomeric SMILES

CCO/C(=C(\C(=O)C1=CC=CC=C1)/C(=O)C(CC(=O)O)OC(=O)C)/O

InChI

InChI=1S/C17H18O8/c1-3-24-17(23)14(15(21)11-7-5-4-6-8-11)16(22)12(9-13(19)20)25-10(2)18/h4-8,12,23H,3,9H2,1-2H3,(H,19,20)/b17-14+