4-chloranyl-2-(3-methoxy-3-oxidanylidene-propyl)benzoic acid

Systemtic Name: 4-chloranyl-2-(3-methoxy-3-oxidanylidene-propyl)benzoic acid Openeye Name: 4-chloro-2-(3-methoxy-3-oxo-propyl)benzoic acid CAS Name: 4-chloro-2-(3-methoxy-3-oxopropyl)benzoic acid IUPAC Name: 4-chloro-2-(3-methoxy-3-oxopropyl)benzoic acid Traditional Name: 4-chloro-2-(3-keto-3-methoxy-propyl)benzoic acid Formula: C11H11ClO4 MolecularWeight: 242.65564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)O

Isomeric SMILES

COC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C11H11ClO4/c1-16-10(13)5-2-7-6-8(12)3-4-9(7)11(14)15/h3-4,6H,2,5H2,1H3,(H,14,15)