4-methylsulfanyl-2-oxidanylidene-6-phenyl-pyran-3-carboxylic acid

Systemtic Name: 4-methylsulfanyl-2-oxidanylidene-6-phenyl-pyran-3-carboxylic acid Openeye Name: 4-methylsulfanyl-2-oxo-6-phenyl-pyran-3-carboxylic acid CAS Name: 4-(methylthio)-2-oxo-6-phenyl-3-pyrancarboxylic acid IUPAC Name: 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxylic acid Traditional Name: 2-keto-4-(methylthio)-6-phenyl-pyran-3-carboxylic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSC1=C(C(=O)OC(=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H10O4S/c1-18-10-7-9(8-5-3-2-4-6-8)17-13(16)11(10)12(14)15/h2-7H,1H3,(H,14,15)