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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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