methyl 4-[2-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylcarbonyl]phenyl]butanoate

Systemtic Name: methyl 4-[2-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylcarbonyl]phenyl]butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylcarbonyl]-2-bromo-phenyl]butanoate CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-oxomethyl]-2-bromophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylcarbonyl]-2-bromophenyl]butanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]carbonyl-2-bromo-phenyl]butyric acid methyl ester Formula: C26H31BrO6S MolecularWeight: 551.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C2=CC(=C(C=C2)CCCC(=O)OC)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C2=CC(=C(C=C2)CCCC(=O)OC)Br

InChI

InChI=1S/C26H31BrO6S/c1-4-7-21-23(13-12-20(17(2)28)25(21)30)33-14-6-15-34-26(31)19-11-10-18(22(27)16-19)8-5-9-24(29)32-3/h10-13,16,30H,4-9,14-15H2,1-3H3