3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]benzoic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]benzoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]benzoic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]benzoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]benzoic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]benzoic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O5S/c1-3-6-18-19(10-9-17(14(2)22)20(18)23)26-11-5-12-27-16-8-4-7-15(13-16)21(24)25/h4,7-10,13,23H,3,5-6,11-12H2,1-2H3,(H,24,25)