4-[3-(furan-2-ylmethylsulfanyl)propoxy]benzoate

Systemtic Name: 4-[3-(furan-2-ylmethylsulfanyl)propoxy]benzoate Openeye Name: 4-[3-(2-furylmethylsulfanyl)propoxy]benzoate CAS Name: 4-[3-(2-furanylmethylthio)propoxy]benzoate IUPAC Name: 4-[3-(furan-2-ylmethylsulfanyl)propoxy]benzoate Traditional Name: 4-[3-(2-furfurylthio)propoxy]benzoate Formula: C15H15O4S- MolecularWeight: 291.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H16O4S/c16-15(17)12-4-6-13(7-5-12)18-9-2-10-20-11-14-3-1-8-19-14/h1,3-8H,2,9-11H2,(H,16,17)/p-1