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

Systemtic Name: 2-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]sulfanylbenzoic acid Openeye Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]sulfanylbenzoic acid CAS Name: 2-[[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]thio]benzoic acid IUPAC Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]thio]benzoic acid Formula: C27H28O6S MolecularWeight: 480.57262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC(=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC(=CC=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H28O6S/c1-3-8-22-24(14-13-21(18(2)28)26(22)29)33-16-7-15-32-19-9-6-10-20(17-19)34-25-12-5-4-11-23(25)27(30)31/h4-6,9-14,17,29H,3,7-8,15-16H2,1-2H3,(H,30,31)