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

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]benzoic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]benzoic acid CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]benzoic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]benzoic acid Traditional Name: 2-[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=C2C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=CC=C2C(=O)O

InChI

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