5-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(2,6-dichlorophenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(2,6-dichlorophenyl)thio]methyl]-2-furoate Formula: C12H7Cl2O3S- MolecularWeight: 302.15318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8Cl2O3S/c13-8-2-1-3-9(14)11(8)18-6-7-4-5-10(17-7)12(15)16/h1-5H,6H2,(H,15,16)/p-1