3-(2-carboxy-5-sulfanyl-pentyl)-4-methoxy-benzoic acid

Systemtic Name: 3-(2-carboxy-5-sulfanyl-pentyl)-4-methoxy-benzoic acid Openeye Name: 3-(2-carboxy-5-sulfanyl-pentyl)-4-methoxy-benzoic acid CAS Name: 3-(2-carboxy-5-mercaptopentyl)-4-methoxybenzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylpentyl)-4-methoxybenzoic acid Traditional Name: 3-(2-carboxy-5-mercapto-pentyl)-4-methoxy-benzoic acid Formula: C14H18O5S MolecularWeight: 298.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5S/c1-19-12-5-4-10(14(17)18)8-11(12)7-9(13(15)16)3-2-6-20/h4-5,8-9,20H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)