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

Systemtic Name: 3-[1-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]sulfanylpropanoic acid Openeye Name: 3-[1-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]sulfanylpropanoic acid CAS Name: 3-[[1-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-4-phenylbutyl]thio]propanoic acid IUPAC Name: 3-[1-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-4-phenylbutyl]sulfanylpropanoic acid Traditional Name: 3-[[1-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-4-phenyl-butyl]thio]propionic acid Formula: C33H40O6S MolecularWeight: 564.7321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)C(CCCC3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)C(CCCC3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C33H40O6S/c1-3-9-29-30(19-18-28(24(2)34)33(29)37)39-22-8-21-38-27-16-14-26(15-17-27)31(40-23-20-32(35)36)13-7-12-25-10-5-4-6-11-25/h4-6,10-11,14-19,31,37H,3,7-9,12-13,20-23H2,1-2H3,(H,35,36)