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

Systemtic Name: 2-[3-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid Openeye Name: 2-[3-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid CAS Name: 2-[3-(2-carboxy-5-mercaptopentyl)phenyl]benzoic acid IUPAC Name: 2-[3-(2-carboxy-5-sulfanylpentyl)phenyl]benzoic acid Traditional Name: 2-[3-(2-carboxy-5-mercapto-pentyl)phenyl]benzoic acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O4S/c20-18(21)15(7-4-10-24)12-13-5-3-6-14(11-13)16-8-1-2-9-17(16)19(22)23/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H,20,21)(H,22,23)