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

Systemtic Name: 3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]benzoic acid Openeye Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]benzoic acid CAS Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]benzoic acid IUPAC Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]benzoic acid Traditional Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]benzoic acid Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H26O5S/c1-3-7-19-20(11-10-18(15(2)23)21(19)24)27-12-4-5-13-28-17-9-6-8-16(14-17)22(25)26/h6,8-11,14,24H,3-5,7,12-13H2,1-2H3,(H,25,26)