methyl 4-(2-methyl-3-oxidanylidene-butyl)benzoate

Systemtic Name: methyl 4-(2-methyl-3-oxidanylidene-butyl)benzoate Openeye Name: methyl 4-(2-methyl-3-oxo-butyl)benzoate CAS Name: 4-(2-methyl-3-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-3-oxobutyl)benzoate Traditional Name: 4-(3-keto-2-methyl-butyl)benzoic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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