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

Systemtic Name: 5-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)pentanoic acid Openeye Name: 5-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)pentanoic acid CAS Name: 5-[6-hydroxy-4-oxo-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]pentanoic acid IUPAC Name: 5-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)pentanoic acid Traditional Name: 5-[6-hydroxy-4-keto-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]valeric acid Formula: C24H26O5S MolecularWeight: 426.52524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O5S/c25-20-17-24(15-8-7-13-21(26)27,19-11-5-2-6-12-19)29-23(28)22(20)30-16-14-18-9-3-1-4-10-18/h1-6,9-12,28H,7-8,13-17H2,(H,26,27)