[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-chloranyl-6-fluoranyl-phenyl)butaneperoxoate

Systemtic Name: [2-ethanoyl-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-chloranyl-6-fluoranyl-phenyl)butaneperoxoate Openeye Name: [2-acetyl-5-(3-thienylmethoxy)phenyl] 4-(2-chloro-6-fluoro-phenyl)butaneperoxoate CAS Name: 4-(2-chloro-6-fluorophenyl)butaneperoxoic acid [2-acetyl-5-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [2-acetyl-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-chloro-6-fluorophenyl)butaneperoxoate Traditional Name: 4-(2-chloro-6-fluoro-phenyl)peroxybutyric acid [2-acetyl-5-(3-thenyloxy)phenyl] ester Formula: C23H20ClFO5S MolecularWeight: 462.918303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OOC(=O)CCCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OOC(=O)CCCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H20ClFO5S/c1-15(26)18-9-8-17(28-13-16-10-11-31-14-16)12-22(18)29-30-23(27)7-2-4-19-20(24)5-3-6-21(19)25/h3,5-6,8-12,14H,2,4,7,13H2,1H3