3-(2-carboxy-5-sulfanyl-pentyl)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(2-carboxy-5-sulfanyl-pentyl)-4-fluoranyl-benzoic acid Openeye Name: 3-(2-carboxy-5-sulfanyl-pentyl)-4-fluoro-benzoic acid CAS Name: 3-(2-carboxy-5-mercaptopentyl)-4-fluorobenzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylpentyl)-4-fluorobenzoic acid Traditional Name: 3-(2-carboxy-5-mercapto-pentyl)-4-fluoro-benzoic acid Formula: C13H15FO4S MolecularWeight: 286.319203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)CC(CCCS)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)CC(CCCS)C(=O)O)F

InChI

InChI=1S/C13H15FO4S/c14-11-4-3-9(13(17)18)7-10(11)6-8(12(15)16)2-1-5-19/h3-4,7-8,19H,1-2,5-6H2,(H,15,16)(H,17,18)