2-[(4-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(4-bromophenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-3-furoic acid Formula: C12H9BrO3S MolecularWeight: 313.16706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=C(C=CO2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC2=C(C=CO2)C(=O)O)Br

InChI

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