2-(2-methylphenyl)sulfanylfuran-3-carboxylic acid

Systemtic Name: 2-(2-methylphenyl)sulfanylfuran-3-carboxylic acid Openeye Name: 2-(o-tolylsulfanyl)furan-3-carboxylic acid CAS Name: 2-[(2-methylphenyl)thio]-3-furancarboxylic acid IUPAC Name: 2-(2-methylphenyl)sulfanylfuran-3-carboxylic acid Traditional Name: 2-(o-tolylthio)-3-furoic acid Formula: C12H10O3S MolecularWeight: 234.271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=CO2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C12H10O3S/c1-8-4-2-3-5-10(8)16-12-9(11(13)14)6-7-15-12/h2-7H,1H3,(H,13,14)