4-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(4-cyanophenoxy)ethylthio]benzoic acid IUPAC Name: 4-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(4-cyanophenoxy)ethylthio]benzoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H13NO3S/c17-11-12-1-5-14(6-2-12)20-9-10-21-15-7-3-13(4-8-15)16(18)19/h1-8H,9-10H2,(H,18,19)