3-[(phenylmethyl)sulfonylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[(phenylmethyl)sulfonylmethyl]furan-2-carboxylic acid Openeye Name: 3-(benzylsulfonylmethyl)furan-2-carboxylic acid CAS Name: 3-[(phenylmethyl)sulfonylmethyl]-2-furancarboxylic acid IUPAC Name: 3-(benzylsulfonylmethyl)furan-2-carboxylic acid Traditional Name: 3-(benzylsulfonylmethyl)-2-furoic acid Formula: C13H12O5S MolecularWeight: 280.29638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C13H12O5S/c14-13(15)12-11(6-7-18-12)9-19(16,17)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)