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

Systemtic Name: 4-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-3,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-keto-3,3-dimethyl-butyric acid Formula: C26H32O6S MolecularWeight: 472.59368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=CC(=C2)C(=O)C(C)(C)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=CC(=C2)C(=O)C(C)(C)CC(=O)O

InChI

InChI=1S/C26H32O6S/c1-5-8-21-22(12-11-20(17(2)27)24(21)30)32-13-7-14-33-19-10-6-9-18(15-19)25(31)26(3,4)16-23(28)29/h6,9-12,15,30H,5,7-8,13-14,16H2,1-4H3,(H,28,29)