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

Systemtic Name: methyl 4-methyl-3-(3-oxidanylidenebutyl)benzoate Openeye Name: methyl 4-methyl-3-(3-oxobutyl)benzoate CAS Name: 4-methyl-3-(3-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(3-oxobutyl)benzoate Traditional Name: 3-(3-ketobutyl)-4-methyl-benzoic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-9-4-6-12(13(15)16-3)8-11(9)7-5-10(2)14/h4,6,8H,5,7H2,1-3H3