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

Systemtic Name: 2-bromanyl-4-(2-carboxy-5-sulfanyl-pentyl)benzoic acid Openeye Name: 2-bromo-4-(2-carboxy-5-sulfanyl-pentyl)benzoic acid CAS Name: 2-bromo-4-(2-carboxy-5-mercaptopentyl)benzoic acid IUPAC Name: 2-bromo-4-(2-carboxy-5-sulfanylpentyl)benzoic acid Traditional Name: 2-bromo-4-(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=C1CC(CCCS)C(=O)O)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(CCCS)C(=O)O)Br)C(=O)O

InChI

InChI=1S/C13H15BrO4S/c14-11-7-8(3-4-10(11)13(17)18)6-9(12(15)16)2-1-5-19/h3-4,7,9,19H,1-2,5-6H2,(H,15,16)(H,17,18)