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

Systemtic Name: 4-[(3-chlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(3-chlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(3-chlorophenyl)thio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(3-chlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(3-chlorophenyl)thio]methyl]-5-methyl-2-furoic acid Formula: C13H11ClO3S MolecularWeight: 282.74264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClO3S/c1-8-9(5-12(17-8)13(15)16)7-18-11-4-2-3-10(14)6-11/h2-6H,7H2,1H3,(H,15,16)