2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]benzoic acid IUPAC Name: 2-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]benzoic acid Formula: C13H10O5S MolecularWeight: 278.2805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C13H10O5S/c14-10-5-8(18-6-11(10)15)7-19-12-4-2-1-3-9(12)13(16)17/h1-6,15H,7H2,(H,16,17)