5-[(4-carboxyphenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-carboxyphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-carboxyphenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-carboxyphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-carboxyphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-carboxyphenyl)thio]methyl]-2-furoic acid Formula: C13H10O5S MolecularWeight: 278.2805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H10O5S/c14-12(15)8-1-4-10(5-2-8)19-7-9-3-6-11(18-9)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)