4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)-2,3-dihydropyran-2-yl]benzoic acid

Systemtic Name: 4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)-2,3-dihydropyran-2-yl]benzoic acid Openeye Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2,3-dihydropyran-2-yl)benzoic acid CAS Name: 4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2,3-dihydropyran-2-yl]benzoic acid IUPAC Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2,3-dihydropyran-2-yl)benzoic acid Traditional Name: 4-[5-(benzylthio)-6-hydroxy-4-keto-2,3-dihydropyran-2-yl]benzoic acid Formula: C19H16O5S MolecularWeight: 356.39234

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16O5S/c20-15-10-16(13-6-8-14(9-7-13)18(21)22)24-19(23)17(15)25-11-12-4-2-1-3-5-12/h1-9,16,23H,10-11H2,(H,21,22)