4-[1-(furan-2-yl)-1-sulfanyl-ethyl]benzoic acid

Systemtic Name: 4-[1-(furan-2-yl)-1-sulfanyl-ethyl]benzoic acid Openeye Name: 4-[1-(2-furyl)-1-sulfanyl-ethyl]benzoic acid CAS Name: 4-[1-(2-furanyl)-1-mercaptoethyl]benzoic acid IUPAC Name: 4-[1-(furan-2-yl)-1-sulfanylethyl]benzoic acid Traditional Name: 4-[1-(2-furyl)-1-mercapto-ethyl]benzoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)(C2=CC=CO2)S

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)(C2=CC=CO2)S

InChI

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