3-(2-carboxy-5-sulfanyl-hexyl)benzoic acid

Systemtic Name: 3-(2-carboxy-5-sulfanyl-hexyl)benzoic acid Openeye Name: 3-(2-carboxy-5-sulfanyl-hexyl)benzoic acid CAS Name: 3-(2-carboxy-5-mercaptohexyl)benzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylhexyl)benzoic acid Traditional Name: 3-(2-carboxy-5-mercapto-hexyl)benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O)S

Isomeric SMILES

CC(CCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O)S

InChI

InChI=1S/C14H18O4S/c1-9(19)5-6-12(14(17)18)8-10-3-2-4-11(7-10)13(15)16/h2-4,7,9,12,19H,5-6,8H2,1H3,(H,15,16)(H,17,18)