3-(3-tert-butyl-2-chloranyl-phenyl)propanoate

Systemtic Name: 3-(3-tert-butyl-2-chloranyl-phenyl)propanoate Openeye Name: 3-(3-tert-butyl-2-chloro-phenyl)propanoate CAS Name: 3-(3-tert-butyl-2-chlorophenyl)propanoate IUPAC Name: 3-(3-tert-butyl-2-chlorophenyl)propanoate Traditional Name: 3-(3-tert-butyl-2-chloro-phenyl)propionate Formula: C13H16ClO2- MolecularWeight: 239.71794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1Cl)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1Cl)CCC(=O)[O-]

InChI

InChI=1S/C13H17ClO2/c1-13(2,3)10-6-4-5-9(12(10)14)7-8-11(15)16/h4-6H,7-8H2,1-3H3,(H,15,16)/p-1