2-pentanoylbenzoate

Systemtic Name: 2-pentanoylbenzoate Openeye Name: 2-pentanoylbenzoate CAS Name: 2-(1-oxopentyl)benzoate IUPAC Name: 2-pentanoylbenzoate Traditional Name: 2-valerylbenzoate Formula: C12H13O3- MolecularWeight: 205.22982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C12H14O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)/p-1