sodium 2-pentanoylbenzoate

Systemtic Name: sodium 2-pentanoylbenzoate Openeye Name: sodium 2-pentanoylbenzoate CAS Name: sodium 2-(1-oxopentyl)benzoate IUPAC Name: sodium 2-pentanoylbenzoate Traditional Name: sodium 2-valerylbenzoate Formula: C12H13NaO3 MolecularWeight: 228.21959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

InChI

InChI=1S/C12H14O3.Na/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);/q;+1/p-1