ethyl (E)-6-(6-oxidanyl-4-oxidanylidene-5-propanoyl-pyran-2-yl)hept-2-enoate

Systemtic Name: ethyl (E)-6-(6-oxidanyl-4-oxidanylidene-5-propanoyl-pyran-2-yl)hept-2-enoate Openeye Name: ethyl (E)-6-(6-hydroxy-4-oxo-5-propanoyl-pyran-2-yl)hept-2-enoate CAS Name: (E)-6-[6-hydroxy-4-oxo-5-(1-oxopropyl)-2-pyranyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-6-(6-hydroxy-4-oxo-5-propanoylpyran-2-yl)hept-2-enoate Traditional Name: (E)-6-(6-hydroxy-4-keto-5-propionyl-pyran-2-yl)hept-2-enoic acid ethyl ester Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(OC(=CC1=O)C(C)CCC=CC(=O)OCC)O

Isomeric SMILES

CCC(=O)C1=C(OC(=CC1=O)C(C)CC/C=C/C(=O)OCC)O

InChI

InChI=1S/C17H22O6/c1-4-12(18)16-13(19)10-14(23-17(16)21)11(3)8-6-7-9-15(20)22-5-2/h7,9-11,21H,4-6,8H2,1-3H3/b9-7+