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

Systemtic Name: 4-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-keto-butyric acid Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O6S/c1-3-6-20-22(11-9-19(16(2)25)24(20)29)30-13-5-14-31-18-8-4-7-17(15-18)21(26)10-12-23(27)28/h4,7-9,11,15,29H,3,5-6,10,12-14H2,1-2H3,(H,27,28)