2-[(4-methylphenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-(p-tolylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-[[(4-methylphenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(4-methylphenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[(p-tolylthio)methyl]-3-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)O

InChI

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