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

Systemtic Name: 3-(2-carboxy-5-sulfanyl-pentyl)-5-phenyl-benzoic acid Openeye Name: 3-(2-carboxy-5-sulfanyl-pentyl)-5-phenyl-benzoic acid CAS Name: 3-(2-carboxy-5-mercaptopentyl)-5-phenylbenzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylpentyl)-5-phenylbenzoic acid Traditional Name: 3-(2-carboxy-5-mercapto-pentyl)-5-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(7-4-8-24)9-13-10-16(12-17(11-13)19(22)23)14-5-2-1-3-6-14/h1-3,5-6,10-12,15,24H,4,7-9H2,(H,20,21)(H,22,23)