2-[3-(2-carboxy-5-sulfanyl-pentyl)phenoxy]benzoic acid

Systemtic Name: 2-[3-(2-carboxy-5-sulfanyl-pentyl)phenoxy]benzoic acid Openeye Name: 2-[3-(2-carboxy-5-sulfanyl-pentyl)phenoxy]benzoic acid CAS Name: 2-[3-(2-carboxy-5-mercaptopentyl)phenoxy]benzoic acid IUPAC Name: 2-[3-(2-carboxy-5-sulfanylpentyl)phenoxy]benzoic acid Traditional Name: 2-[3-(2-carboxy-5-mercapto-pentyl)phenoxy]benzoic acid Formula: C19H20O5S MolecularWeight: 360.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OC2=CC=CC(=C2)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OC2=CC=CC(=C2)CC(CCCS)C(=O)O

InChI

InChI=1S/C19H20O5S/c20-18(21)14(6-4-10-25)11-13-5-3-7-15(12-13)24-17-9-2-1-8-16(17)19(22)23/h1-3,5,7-9,12,14,25H,4,6,10-11H2,(H,20,21)(H,22,23)