3-(2-carboxy-6-sulfanyl-hexyl)benzoic acid

Systemtic Name: 3-(2-carboxy-6-sulfanyl-hexyl)benzoic acid Openeye Name: 3-(2-carboxy-6-sulfanyl-hexyl)benzoic acid CAS Name: 3-(2-carboxy-6-mercaptohexyl)benzoic acid IUPAC Name: 3-(2-carboxy-6-sulfanylhexyl)benzoic acid Traditional Name: 3-(2-carboxy-6-mercapto-hexyl)benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCCCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCCCS)C(=O)O)C(=O)O

InChI

InChI=1S/C14H18O4S/c15-13(16)11(5-1-2-7-19)8-10-4-3-6-12(9-10)14(17)18/h3-4,6,9,11,19H,1-2,5,7-8H2,(H,15,16)(H,17,18)