4-(furan-2-ylmethylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(furan-2-ylmethylsulfanylmethyl)benzoic acid Openeye Name: 4-(2-furylmethylsulfanylmethyl)benzoic acid CAS Name: 4-[(2-furanylmethylthio)methyl]benzoic acid IUPAC Name: 4-(furan-2-ylmethylsulfanylmethyl)benzoic acid Traditional Name: 4-[(2-furfurylthio)methyl]benzoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12O3S/c14-13(15)11-5-3-10(4-6-11)8-17-9-12-2-1-7-16-12/h1-7H,8-9H2,(H,14,15)