3-propanoylbenzoate

Systemtic Name: 3-propanoylbenzoate Openeye Name: 3-propanoylbenzoate CAS Name: 3-(1-oxopropyl)benzoate IUPAC Name: 3-propanoylbenzoate Traditional Name: 3-propionylbenzoate Formula: C10H9O3- MolecularWeight: 177.17666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)/p-1