5-(5-fluoranyl-2-methyl-phenyl)sulfanylfuran-3-carboxylic acid

Systemtic Name: 5-(5-fluoranyl-2-methyl-phenyl)sulfanylfuran-3-carboxylic acid Openeye Name: 5-(5-fluoro-2-methyl-phenyl)sulfanylfuran-3-carboxylic acid CAS Name: 5-[(5-fluoro-2-methylphenyl)thio]-3-furancarboxylic acid IUPAC Name: 5-(5-fluoro-2-methylphenyl)sulfanylfuran-3-carboxylic acid Traditional Name: 5-[(5-fluoro-2-methyl-phenyl)thio]-3-furoic acid Formula: C12H9FO3S MolecularWeight: 252.261463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)SC2=CC(=CO2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)SC2=CC(=CO2)C(=O)O

InChI

InChI=1S/C12H9FO3S/c1-7-2-3-9(13)5-10(7)17-11-4-8(6-16-11)12(14)15/h2-6H,1H3,(H,14,15)