3-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-(p-tolylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[(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=C(OC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(OC=C2)C(=O)O

InChI

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