5-[(2-bromophenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(2-bromophenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(2-bromophenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(2-bromophenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(2-bromophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(2-bromophenyl)thio]methyl]-2-furoate Formula: C12H8BrO3S- MolecularWeight: 312.15912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC2=CC=C(O2)C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)SCC2=CC=C(O2)C(=O)[O-])Br

InChI

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