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

Systemtic Name: 4-bromanyl-3-(2-carboxy-5-sulfanyl-pentyl)benzoic acid Openeye Name: 4-bromo-3-(2-carboxy-5-sulfanyl-pentyl)benzoic acid CAS Name: 4-bromo-3-(2-carboxy-5-mercaptopentyl)benzoic acid IUPAC Name: 4-bromo-3-(2-carboxy-5-sulfanylpentyl)benzoic acid Traditional Name: 4-bromo-3-(2-carboxy-5-mercapto-pentyl)benzoic acid Formula: C13H15BrO4S MolecularWeight: 347.2248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO4S/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)