4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)butanoate IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butyrate Formula: C12H14ClO3- MolecularWeight: 241.69076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)[O-]

InChI

InChI=1S/C12H15ClO3/c1-8-6-10(7-9(2)12(8)13)16-5-3-4-11(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1