5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(2-chlorophenyl)methylthio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2-chlorobenzyl)thio]methyl]-2-furoic acid Formula: C13H11ClO3S MolecularWeight: 282.74264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClO3S/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(17-10)13(15)16/h1-6H,7-8H2,(H,15,16)