3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid

Systemtic Name: 3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid Openeye Name: 3-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid CAS Name: 3-[6-hydroxy-4-oxo-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]propanoic acid IUPAC Name: 3-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)propanoic acid Traditional Name: 3-[6-hydroxy-4-keto-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]propionic acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(OC1(CCC(=O)O)C2=CC=CC=C2)O)SCCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)C(=C(OC1(CCC(=O)O)C2=CC=CC=C2)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c23-18-15-22(13-11-19(24)25,17-9-5-2-6-10-17)27-21(26)20(18)28-14-12-16-7-3-1-4-8-16/h1-10,26H,11-15H2,(H,24,25)