5-(phenylmethylsulfanyl)furan-2-carboxylic acid

Systemtic Name: 5-(phenylmethylsulfanyl)furan-2-carboxylic acid Openeye Name: 5-benzylsulfanylfuran-2-carboxylic acid CAS Name: 5-(phenylmethylthio)-2-furancarboxylic acid IUPAC Name: 5-benzylsulfanylfuran-2-carboxylic acid Traditional Name: 5-(benzylthio)-2-furoic acid Formula: C12H10O3S MolecularWeight: 234.271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H10O3S/c13-12(14)10-6-7-11(15-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)