5-[(2-chlorophenyl)methanesulfonylmethyl]furan-2-carboxylic acid

CAS: 696648-35-8

Formula: C13H11ClO5S

SMILES: OC(=O)C1=CC=C(CS(=O)(=O)CC2=C(Cl)C=CC=C2)O1

IUPAC: 5-{[(2-chlorophenyl)methanesulfonyl]methyl}furan-2-carboxylic acid

InChI: InChI=1S/C13H11ClO5S/c14-11-4-2-1-3-9(11)7-20(17,18)8-10-5-6-12(19-10)13(15)16/h1-6H,7-8H2,(H,15,16)

Composition: C (49.61%), H (3.52%), Cl (11.26%), O (25.42%), S (10.19%)

Molar Mass: 314.74

Atom Count: 31

Heavy Atom Count: 20