5-(3,5-dimethylphenyl)sulfanylfuran-3-carboxylic acid

Systemtic Name: 5-(3,5-dimethylphenyl)sulfanylfuran-3-carboxylic acid Openeye Name: 5-(3,5-dimethylphenyl)sulfanylfuran-3-carboxylic acid CAS Name: 5-[(3,5-dimethylphenyl)thio]-3-furancarboxylic acid IUPAC Name: 5-(3,5-dimethylphenyl)sulfanylfuran-3-carboxylic acid Traditional Name: 5-[(3,5-dimethylphenyl)thio]-3-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3S/c1-8-3-9(2)5-11(4-8)17-12-6-10(7-16-12)13(14)15/h3-7H,1-2H3,(H,14,15)