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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC=C2CC(CCCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2CC(CCCS)C(=O)O)C(=O)O

InChI

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