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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Br)C(=O)O)CC(CCCS)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1Br)C(=O)O)CC(CCCS)C(=O)O

InChI

InChI=1S/C13H15BrO4S/c14-11-6-8(5-10(7-11)13(17)18)4-9(12(15)16)2-1-3-19/h5-7,9,19H,1-4H2,(H,15,16)(H,17,18)