5-(phenylcarbonylsulfanylmethyl)thiolane-3-carboxylic acid

Systemtic Name: 5-(phenylcarbonylsulfanylmethyl)thiolane-3-carboxylic acid Openeye Name: 5-(benzoylsulfanylmethyl)tetrahydrothiophene-3-carboxylic acid CAS Name: 5-[(benzoylthio)methyl]-3-thiolanecarboxylic acid IUPAC Name: 5-(benzoylsulfanylmethyl)thiolane-3-carboxylic acid Traditional Name: 5-[(benzoylthio)methyl]tetrahydrothiophene-3-carboxylic acid Formula: C13H14O3S2 MolecularWeight: 282.37846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC1CSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(CSC1CSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14O3S2/c14-12(15)10-6-11(17-7-10)8-18-13(16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)