3-(4-butan-2-ylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: 3-(4-butan-2-ylphenyl)-3-oxidanylidene-propanoate Openeye Name: 3-oxo-3-(4-sec-butylphenyl)propanoate CAS Name: 3-(4-butan-2-ylphenyl)-3-oxopropanoate IUPAC Name: 3-(4-butan-2-ylphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(4-sec-butylphenyl)propionate Formula: C13H15O3- MolecularWeight: 219.2564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CC(=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)CC(=O)[O-]

InChI

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