4-[3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxidanyl-butanoate

Systemtic Name: 4-[3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxidanyl-butanoate Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-bromo-phenyl]-4-hydroxy-3,3-dimethyl-butanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-bromophenyl]-4-hydroxy-3,3-dimethylbutanoate IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-bromophenyl]-4-hydroxy-3,3-dimethylbutanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-bromo-phenyl]-4-hydroxy-3,3-dimethyl-butyrate Formula: C26H32BrO6S- MolecularWeight: 552.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C=C(C=C2)C(C(C)(C)CC(=O)[O-])O)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C=C(C=C2)C(C(C)(C)CC(=O)[O-])O)Br

InChI

InChI=1S/C26H33BrO6S/c1-5-7-19-21(10-9-18(16(2)28)24(19)31)33-12-6-13-34-22-11-8-17(14-20(22)27)25(32)26(3,4)15-23(29)30/h8-11,14,25,31-32H,5-7,12-13,15H2,1-4H3,(H,29,30)/p-1