2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]methyl]benzoic acid IUPAC Name: 2-[(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]methyl]benzoic acid Formula: C19H14O5S MolecularWeight: 354.37646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H14O5S/c20-15-10-16(12-6-2-1-3-7-12)24-19(23)17(15)25-11-13-8-4-5-9-14(13)18(21)22/h1-10,23H,11H2,(H,21,22)