methyl 4-oxidanylidene-4-(4-oxidanyl-3-prop-2-enyl-phenyl)butanoate

Systemtic Name: methyl 4-oxidanylidene-4-(4-oxidanyl-3-prop-2-enyl-phenyl)butanoate Openeye Name: methyl 4-(3-allyl-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(4-hydroxy-3-prop-2-enylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-hydroxy-3-prop-2-enylphenyl)-4-oxobutanoate Traditional Name: 4-(3-allyl-4-hydroxy-phenyl)-4-keto-butyric acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4/c1-3-4-10-9-11(5-6-12(10)15)13(16)7-8-14(17)18-2/h3,5-6,9,15H,1,4,7-8H2,2H3