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

Systemtic Name: 5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-(p-tolylmethylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[[(4-methylphenyl)methylthio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-methylbenzyl)thio]methyl]-2-furoic acid Formula: C14H14O3S MolecularWeight: 262.32416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H14O3S/c1-10-2-4-11(5-3-10)8-18-9-12-6-7-13(17-12)14(15)16/h2-7H,8-9H2,1H3,(H,15,16)