[4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]methylsulfanyl]-2-methyl-phenyl] butaneperoxoate

Systemtic Name: [4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]methylsulfanyl]-2-methyl-phenyl] butaneperoxoate Openeye Name: [4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]methylsulfanyl]-2-methyl-phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]methylthio]-2-methylphenyl] ester IUPAC Name: [4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]methylsulfanyl]-2-methylphenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]methylthio]-2-methyl-phenyl] ester Formula: C23H20ClF3O4S MolecularWeight: 484.91571

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=C(C=C(C=C1)SCC2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)C

Isomeric SMILES

CCCC(=O)OOC1=C(C=C(C=C1)SCC2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)C

InChI

InChI=1S/C23H20ClF3O4S/c1-3-4-21(28)31-30-19-10-9-18(11-14(19)2)32-13-16-12-20(29-22(16)23(25,26)27)15-5-7-17(24)8-6-15/h5-12H,3-4,13H2,1-2H3