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

Systemtic Name: 5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxylic acid Openeye Name: 5-(p-tolylsulfonylmethyl)furan-2-carboxylic acid CAS Name: 5-[(4-methylphenyl)sulfonylmethyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxylic acid Traditional Name: 5-(tosylmethyl)-2-furoic acid Formula: C13H12O5S MolecularWeight: 280.29638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)