methyl 2-[3-(4-oxidanyl-3-oxidanylidene-butyl)phenyl]ethanoate

Systemtic Name: methyl 2-[3-(4-oxidanyl-3-oxidanylidene-butyl)phenyl]ethanoate Openeye Name: methyl 2-[3-(4-hydroxy-3-oxo-butyl)phenyl]acetate CAS Name: 2-[3-(4-hydroxy-3-oxobutyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-hydroxy-3-oxobutyl)phenyl]acetate Traditional Name: 2-[3-(4-hydroxy-3-keto-butyl)phenyl]acetic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CCC(=O)CO

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CCC(=O)CO

InChI

InChI=1S/C13H16O4/c1-17-13(16)8-11-4-2-3-10(7-11)5-6-12(15)9-14/h2-4,7,14H,5-6,8-9H2,1H3