methyl 4-methoxy-3-(3-oxidanylidenebutyl)benzoate

Systemtic Name: methyl 4-methoxy-3-(3-oxidanylidenebutyl)benzoate Openeye Name: methyl 4-methoxy-3-(3-oxobutyl)benzoate CAS Name: 4-methoxy-3-(3-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-(3-oxobutyl)benzoate Traditional Name: 3-(3-ketobutyl)-4-methoxy-benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(C=CC(=C1)C(=O)OC)OC

Isomeric SMILES

CC(=O)CCC1=C(C=CC(=C1)C(=O)OC)OC

InChI

InChI=1S/C13H16O4/c1-9(14)4-5-10-8-11(13(15)17-3)6-7-12(10)16-2/h6-8H,4-5H2,1-3H3