methyl 2-methyl-5-(3-oxidanylidenepentan-2-yl)benzoate

Systemtic Name: methyl 2-methyl-5-(3-oxidanylidenepentan-2-yl)benzoate Openeye Name: methyl 2-methyl-5-(1-methyl-2-oxo-butyl)benzoate CAS Name: 2-methyl-5-(3-oxopentan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-(3-oxopentan-2-yl)benzoate Traditional Name: 5-(2-keto-1-methyl-butyl)-2-methyl-benzoic acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-5-13(15)10(3)11-7-6-9(2)12(8-11)14(16)17-4/h6-8,10H,5H2,1-4H3