4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-keto-butyric acid Formula: C24H28O8S MolecularWeight: 476.53932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C24H28O8S/c1-3-5-20-22(12-10-19(16(2)25)24(20)29)32-14-4-15-33(30,31)18-8-6-17(7-9-18)21(26)11-13-23(27)28/h6-10,12,29H,3-5,11,13-15H2,1-2H3,(H,27,28)