2-(6-oxidanylidene-2-phenyl-3-sulfanylidene-pyran-4-yl)propanoic acid

Systemtic Name: 2-(6-oxidanylidene-2-phenyl-3-sulfanylidene-pyran-4-yl)propanoic acid Openeye Name: 2-(6-oxo-2-phenyl-3-thioxo-pyran-4-yl)propanoic acid CAS Name: 2-(6-oxo-2-phenyl-3-sulfanylidene-4-pyranyl)propanoic acid IUPAC Name: 2-(6-oxo-2-phenyl-3-sulfanylidenepyran-4-yl)propanoic acid Traditional Name: 2-(6-keto-2-phenyl-3-thioxo-pyran-4-yl)propionic acid Formula: C14H12O4S MolecularWeight: 276.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O4S/c1-8(14(16)17)10-7-11(15)18-12(13(10)19)9-5-3-2-4-6-9/h2-8,12H,1H3,(H,16,17)