2-[(phenylmethylsulfanyl)methyl]furan-3-carboxylic acid

Systemtic Name: 2-[(phenylmethylsulfanyl)methyl]furan-3-carboxylic acid Openeye Name: 2-(benzylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-[(phenylmethylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-(benzylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-[(benzylthio)methyl]-3-furoic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(C=CO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(C=CO2)C(=O)O

InChI

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