4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)benzoic acid

Systemtic Name: 4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)benzoic acid Openeye Name: 4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)benzoic acid CAS Name: 4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]benzoic acid IUPAC Name: 4-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)benzoic acid Traditional Name: 4-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]benzoic acid Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C20H16O5S/c21-16-12-17(14-6-8-15(9-7-14)19(22)23)25-20(24)18(16)26-11-10-13-4-2-1-3-5-13/h1-9,12,24H,10-11H2,(H,22,23)