methyl 3-ethanoyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 3-ethanoyl-4-propan-2-yl-benzoate Openeye Name: methyl 3-acetyl-4-isopropyl-benzoate CAS Name: 3-acetyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 3-acetyl-4-propan-2-ylbenzoate Traditional Name: 3-acetyl-4-isopropyl-benzoic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-8(2)11-6-5-10(13(15)16-4)7-12(11)9(3)14/h5-8H,1-4H3