5-[(4-chlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid CAS Name: 5-[(4-chlorophenyl)methylsulfinylmethyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid Traditional Name: 5-[(4-chlorobenzyl)sulfinylmethyl]-2-furoic acid Formula: C13H11ClO4S MolecularWeight: 298.74204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)CC2=CC=C(O2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CS(=O)CC2=CC=C(O2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClO4S/c14-10-3-1-9(2-4-10)7-19(17)8-11-5-6-12(18-11)13(15)16/h1-6H,7-8H2,(H,15,16)