5-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoic acid

Systemtic Name: 5-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoic acid Openeye Name: 5-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid CAS Name: 5-[6-hydroxy-4-oxo-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]pentanoic acid IUPAC Name: 5-[6-hydroxy-4-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoic acid Traditional Name: 5-[6-hydroxy-4-keto-5-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]valeric acid Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCC(=O)O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCC(=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C25H28O5S/c1-17(2)19-12-6-7-13-21(19)31-23-20(26)16-25(30-24(23)29,15-9-8-14-22(27)28)18-10-4-3-5-11-18/h3-7,10-13,17,29H,8-9,14-16H2,1-2H3,(H,27,28)