3-[1-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3-phenyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3-phenyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-3-phenyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3-phenylpropyl]thio]propanoic acid IUPAC Name: 3-[1-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3-phenylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[1-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-3-phenyl-propyl]thio]propionic acid Formula: C32H38O6S MolecularWeight: 550.70552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)C(CCC3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)C(CCC3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C32H38O6S/c1-3-8-28-29(17-16-27(23(2)33)32(28)36)38-21-7-20-37-26-14-12-25(13-15-26)30(39-22-19-31(34)35)18-11-24-9-5-4-6-10-24/h4-6,9-10,12-17,30,36H,3,7-8,11,18-22H2,1-2H3,(H,34,35)