2-[(2-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[(2-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(2-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(2-bromophenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(2-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[(2-bromophenyl)thio]methyl]-3-furoic acid Formula: C12H9BrO3S MolecularWeight: 313.16706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC2=C(C=CO2)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)SCC2=C(C=CO2)C(=O)O)Br

InChI

InChI=1S/C12H9BrO3S/c13-9-3-1-2-4-11(9)17-7-10-8(12(14)15)5-6-16-10/h1-6H,7H2,(H,14,15)