3-[(2R)-2-carboxylato-5-sulfanyl-pentyl]benzoate

Systemtic Name: 3-[(2R)-2-carboxylato-5-sulfanyl-pentyl]benzoate Openeye Name: 3-[(2R)-2-carboxylato-5-sulfanyl-pentyl]benzoate CAS Name: 3-[(2R)-2-carboxylato-5-mercaptopentyl]benzoate IUPAC Name: 3-[(2R)-2-carboxylato-5-sulfanylpentyl]benzoate Traditional Name: 3-[(2R)-2-carboxylato-5-mercapto-pentyl]benzoate Formula: C13H14O4S-2 MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCCS)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C[C@@H](CCCS)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)/p-2/t11-/m1/s1