4-[4-[(5-ethanoyl-4-oxidanyl-3-propyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(5-ethanoyl-4-oxidanyl-3-propyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(5-acetyl-4-hydroxy-3-propyl-2,3-dihydrobenzofuran-2-yl)methylsulfanyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[(5-acetyl-4-hydroxy-3-propyl-2,3-dihydrobenzofuran-2-yl)methylthio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(5-acetyl-4-hydroxy-3-propyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[(5-acetyl-4-hydroxy-3-propyl-coumaran-2-yl)methylthio]phenyl]-4-keto-butyric acid Formula: C24H26O6S MolecularWeight: 442.52464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(OC2=C1C(=C(C=C2)C(=O)C)O)CSC3=CC=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1C(OC2=C1C(=C(C=C2)C(=O)C)O)CSC3=CC=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C24H26O6S/c1-3-4-18-21(30-20-11-9-17(14(2)25)24(29)23(18)20)13-31-16-7-5-15(6-8-16)19(26)10-12-22(27)28/h5-9,11,18,21,29H,3-4,10,12-13H2,1-2H3,(H,27,28)