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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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