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

Systemtic Name: 3-[1-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3-oxidanylidene-3-phenyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-3-oxo-3-phenyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3-oxo-3-phenylpropyl]thio]propanoic acid IUPAC Name: 3-[1-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3-oxo-3-phenylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[1-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-3-keto-3-phenyl-propyl]thio]propionic acid Formula: C32H36O7S MolecularWeight: 564.68904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36O7S/c1-3-8-27-29(16-15-26(22(2)33)32(27)37)39-19-7-18-38-25-13-11-24(12-14-25)30(40-20-17-31(35)36)21-28(34)23-9-5-4-6-10-23/h4-6,9-16,30,37H,3,7-8,17-21H2,1-2H3,(H,35,36)