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

Systemtic Name: sodium 2-(2-oxidanylidenepentan-3-yl)benzoate Openeye Name: sodium 2-(1-ethyl-2-oxo-propyl)benzoate CAS Name: sodium 2-(2-oxopentan-3-yl)benzoate IUPAC Name: sodium 2-(2-oxopentan-3-yl)benzoate Traditional Name: sodium 2-(1-ethyl-2-keto-propyl)benzoate Formula: C12H13NaO3 MolecularWeight: 228.21959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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