3-(4-cyanobutoxy)benzoic acid

Systemtic Name: 3-(4-cyanobutoxy)benzoic acid Openeye Name: 3-(4-cyanobutoxy)benzoic acid CAS Name: 3-(4-cyanobutoxy)benzoic acid IUPAC Name: 3-(4-cyanobutoxy)benzoic acid Traditional Name: 3-(4-cyanobutoxy)benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCC#N)C(=O)O

InChI

InChI=1S/C12H13NO3/c13-7-2-1-3-8-16-11-6-4-5-10(9-11)12(14)15/h4-6,9H,1-3,8H2,(H,14,15)