3-chloranyl-5-methoxy-4-pentoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-pentoxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-pentoxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-pentoxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-pentoxybenzoic acid Traditional Name: 4-amoxy-3-chloro-5-methoxy-benzoic acid Formula: C13H17ClO4 MolecularWeight: 272.72468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Cl)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Cl)C(=O)O)OC

InChI

InChI=1S/C13H17ClO4/c1-3-4-5-6-18-12-10(14)7-9(13(15)16)8-11(12)17-2/h7-8H,3-6H2,1-2H3,(H,15,16)