6-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-6-oxo-hexanoic acid CAS Name: 6-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-6-oxohexanoic acid IUPAC Name: 6-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-6-oxohexanoic acid Traditional Name: 6-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-6-keto-hexanoic acid Formula: C26H32O6S MolecularWeight: 472.59368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(=O)CCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(=O)CCCCC(=O)O

InChI

InChI=1S/C26H32O6S/c1-3-7-22-24(15-14-21(18(2)27)26(22)31)32-16-6-17-33-20-12-10-19(11-13-20)23(28)8-4-5-9-25(29)30/h10-15,31H,3-9,16-17H2,1-2H3,(H,29,30)