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

Systemtic Name: 3-(2-carboxy-5-sulfanyl-pentyl)-5-methoxy-benzoic acid Openeye Name: 3-(2-carboxy-5-sulfanyl-pentyl)-5-methoxy-benzoic acid CAS Name: 3-(2-carboxy-5-mercaptopentyl)-5-methoxybenzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylpentyl)-5-methoxybenzoic acid Traditional Name: 3-(2-carboxy-5-mercapto-pentyl)-5-methoxy-benzoic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC(CCCS)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1)CC(CCCS)C(=O)O)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-19-12-7-9(6-11(8-12)14(17)18)5-10(13(15)16)3-2-4-20/h6-8,10,20H,2-5H2,1H3,(H,15,16)(H,17,18)