5-(2-ethylphenyl)sulfanylfuran-3-carboxylic acid

Systemtic Name: 5-(2-ethylphenyl)sulfanylfuran-3-carboxylic acid Openeye Name: 5-(2-ethylphenyl)sulfanylfuran-3-carboxylic acid CAS Name: 5-[(2-ethylphenyl)thio]-3-furancarboxylic acid IUPAC Name: 5-(2-ethylphenyl)sulfanylfuran-3-carboxylic acid Traditional Name: 5-[(2-ethylphenyl)thio]-3-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1SC2=CC(=CO2)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1SC2=CC(=CO2)C(=O)O

InChI

InChI=1S/C13H12O3S/c1-2-9-5-3-4-6-11(9)17-12-7-10(8-16-12)13(14)15/h3-8H,2H2,1H3,(H,14,15)