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

Systemtic Name: methyl (E)-6-(6-oxidanyl-4-oxidanylidene-5-propanoyl-pyran-2-yl)hept-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6/c1-4-11(17)15-12(18)9-13(22-16(15)20)10(2)7-5-6-8-14(19)21-3/h6,8-10,20H,4-5,7H2,1-3H3/b8-6+