methyl (E,5S)-5-oxidanyl-3-oxidanylidene-7-phenyl-hept-6-enoate

Systemtic Name: methyl (E,5S)-5-oxidanyl-3-oxidanylidene-7-phenyl-hept-6-enoate Openeye Name: methyl (E,5S)-5-hydroxy-3-oxo-7-phenyl-hept-6-enoate CAS Name: (E,5S)-5-hydroxy-3-oxo-7-phenyl-6-heptenoic acid methyl ester IUPAC Name: methyl (E,5S)-5-hydroxy-3-oxo-7-phenylhept-6-enoate Traditional Name: (E,5S)-5-hydroxy-3-keto-7-phenyl-hept-6-enoic acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CC(C=CC1=CC=CC=C1)O

Isomeric SMILES

COC(=O)CC(=O)C[C@@H](/C=C/C1=CC=CC=C1)O

InChI

InChI=1S/C14H16O4/c1-18-14(17)10-13(16)9-12(15)8-7-11-5-3-2-4-6-11/h2-8,12,15H,9-10H2,1H3/b8-7+/t12-/m1/s1