4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]benzoic acid

Systemtic Name: 4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]benzoic acid Openeye Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-pyran-2-yl)benzoic acid CAS Name: 4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2-pyranyl]benzoic acid IUPAC Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxopyran-2-yl)benzoic acid Traditional Name: 4-[5-(benzylthio)-6-hydroxy-4-keto-pyran-2-yl]benzoic acid Formula: C19H14O5S MolecularWeight: 354.37646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C19H14O5S/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/h1-10,23H,11H2,(H,21,22)