5-[3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-methyl-oxolan-2-one

Systemtic Name: 5-[3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-methyl-oxolan-2-one Openeye Name: 5-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-bromo-phenyl]-4-methyl-tetrahydrofuran-2-one CAS Name: 5-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-bromophenyl]-4-methyl-2-oxolanone IUPAC Name: 5-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-bromophenyl]-4-methyloxolan-2-one Traditional Name: 5-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-bromo-phenyl]-4-methyl-tetrahydrofuran-2-one Formula: C25H29BrO5S MolecularWeight: 521.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C=C(C=C2)C3C(CC(=O)O3)C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C=C(C=C2)C3C(CC(=O)O3)C)Br

InChI

InChI=1S/C25H29BrO5S/c1-4-6-19-21(9-8-18(16(3)27)24(19)29)30-11-5-12-32-22-10-7-17(14-20(22)26)25-15(2)13-23(28)31-25/h7-10,14-15,25,29H,4-6,11-13H2,1-3H3