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

Systemtic Name: 4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)butanoic acid Openeye Name: 4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)butanoic acid CAS Name: 4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]butanoic acid IUPAC Name: 4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)butanoic acid Traditional Name: 4-[6-hydroxy-4-keto-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]butyric acid Formula: C23H24O5S MolecularWeight: 412.49866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O5S/c24-19-16-23(14-7-12-20(25)26,18-10-5-2-6-11-18)28-22(27)21(19)29-15-13-17-8-3-1-4-9-17/h1-6,8-11,27H,7,12-16H2,(H,25,26)