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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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