5-[(2-methylsulfanylphenyl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-methylsulfanylphenyl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-methylsulfanylphenyl)methyl]furan-2-carboxylic acid CAS Name: 5-[[2-(methylthio)phenyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-methylsulfanylphenyl)methyl]furan-2-carboxylic acid Traditional Name: 5-[2-(methylthio)benzyl]-2-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12O3S/c1-17-12-5-3-2-4-9(12)8-10-6-7-11(16-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)