4-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[(2,5-dichlorophenyl)thio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[(2,5-dichlorophenyl)thio]methyl]-5-methyl-2-furoate Formula: C13H9Cl2O3S- MolecularWeight: 316.17976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])CSC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])CSC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2O3S/c1-7-8(4-11(18-7)13(16)17)6-19-12-5-9(14)2-3-10(12)15/h2-5H,6H2,1H3,(H,16,17)/p-1