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

Systemtic Name: 3-(2-carboxy-5-sulfanyl-pentyl)-2-chloranyl-benzoic acid Openeye Name: 3-(2-carboxy-5-sulfanyl-pentyl)-2-chloro-benzoic acid CAS Name: 3-(2-carboxy-5-mercaptopentyl)-2-chlorobenzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylpentyl)-2-chlorobenzoic acid Traditional Name: 3-(2-carboxy-5-mercapto-pentyl)-2-chloro-benzoic acid Formula: C13H15ClO4S MolecularWeight: 302.7738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO4S/c14-11-8(3-1-5-10(11)13(17)18)7-9(12(15)16)4-2-6-19/h1,3,5,9,19H,2,4,6-7H2,(H,15,16)(H,17,18)