2-[4-(2-carboxy-5-sulfanyl-pentyl)phenoxy]benzoic acid

Systemtic Name: 2-[4-(2-carboxy-5-sulfanyl-pentyl)phenoxy]benzoic acid Openeye Name: 2-[4-(2-carboxy-5-sulfanyl-pentyl)phenoxy]benzoic acid CAS Name: 2-[4-(2-carboxy-5-mercaptopentyl)phenoxy]benzoic acid IUPAC Name: 2-[4-(2-carboxy-5-sulfanylpentyl)phenoxy]benzoic acid Traditional Name: 2-[4-(2-carboxy-5-mercapto-pentyl)phenoxy]benzoic acid Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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