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

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-(p-tolylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[[(4-methylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[(p-tolylthio)methyl]-2-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12O3S/c1-9-2-5-11(6-3-9)17-8-10-4-7-12(16-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)