4-methoxy-3-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxy-benzoic acid

Systemtic Name: 4-methoxy-3-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxy-benzoic acid Openeye Name: 3-(1-carboxy-4-sulfanyl-butoxy)-4-methoxy-benzoic acid CAS Name: 3-(1-hydroxy-5-mercapto-1-oxopentan-2-yl)oxy-4-methoxybenzoic acid IUPAC Name: 3-(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)oxy-4-methoxybenzoic acid Traditional Name: 3-(1-carboxy-4-mercapto-butoxy)-4-methoxy-benzoic acid Formula: C13H16O6S MolecularWeight: 300.32754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S/c1-18-9-5-4-8(12(14)15)7-11(9)19-10(13(16)17)3-2-6-20/h4-5,7,10,20H,2-3,6H2,1H3,(H,14,15)(H,16,17)