5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-2-furoate Formula: C12H8ClO3S- MolecularWeight: 267.70812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=CC=C(O2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCC2=CC=C(O2)C(=O)[O-])Cl

InChI

InChI=1S/C12H9ClO3S/c13-8-1-4-10(5-2-8)17-7-9-3-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)/p-1