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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]sulfanylbenzoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]sulfanylbenzoic acid CAS Name: 4-[[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]thio]benzoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]sulfanylbenzoic acid Traditional Name: 4-[[4-[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=C(C=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H28O6S/c1-3-5-24-25(15-14-23(18(2)28)26(24)29)33-17-4-16-32-20-8-12-22(13-9-20)34-21-10-6-19(7-11-21)27(30)31/h6-15,29H,3-5,16-17H2,1-2H3,(H,30,31)