sodium 2-(2-oxidanylidenehexan-3-yl)benzoate

Systemtic Name: sodium 2-(2-oxidanylidenehexan-3-yl)benzoate Openeye Name: sodium 2-(1-acetylbutyl)benzoate CAS Name: sodium 2-(2-oxohexan-3-yl)benzoate IUPAC Name: sodium 2-(2-oxohexan-3-yl)benzoate Traditional Name: sodium 2-(1-acetylbutyl)benzoate Formula: C13H15NaO3 MolecularWeight: 242.24617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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