4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-methyl-2-furoic acid Formula: C13H10Cl2O3S MolecularWeight: 317.1877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC2=CC(=C(C=C2)Cl)Cl

InChI

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