2-(3-carboxylatopentan-3-yl)-5-chloranyl-benzoate

Systemtic Name: 2-(3-carboxylatopentan-3-yl)-5-chloranyl-benzoate Openeye Name: 2-(1-carboxylato-1-ethyl-propyl)-5-chloro-benzoate CAS Name: 2-(3-carboxylatopentan-3-yl)-5-chlorobenzoate IUPAC Name: 2-(3-carboxylatopentan-3-yl)-5-chlorobenzoate Traditional Name: 2-(1-carboxylato-1-ethyl-propyl)-5-chloro-benzoate Formula: C13H13ClO4-2 MolecularWeight: 268.69292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO4/c1-3-13(4-2,12(17)18)10-6-5-8(14)7-9(10)11(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18)/p-2