4-[3-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]phenyl]sulfanylbenzoic acid

Systemtic Name: 4-[3-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]phenyl]sulfanylbenzoic acid Openeye Name: 4-[3-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]phenyl]sulfanylbenzoic acid CAS Name: 4-[[3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]phenyl]thio]benzoic acid IUPAC Name: 4-[3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]phenyl]sulfanylbenzoic acid Traditional Name: 4-[[3-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]phenyl]thio]benzoic acid Formula: C26H26O6S MolecularWeight: 466.54604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=CC(=CC=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=CC(=CC=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H26O6S/c1-3-5-23-24(13-12-22(17(2)27)25(23)28)32-15-14-31-19-6-4-7-21(16-19)33-20-10-8-18(9-11-20)26(29)30/h4,6-13,16,28H,3,5,14-15H2,1-2H3,(H,29,30)