[3-(thiophen-3-ylmethoxy)phenyl] 2-[2-(2-bromophenyl)ethyl]-3-oxidanylidene-butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-[2-(2-bromophenyl)ethyl]-3-oxidanylidene-butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-[2-(2-bromophenyl)ethyl]-3-oxo-butaneperoxoate CAS Name: 2-[2-(2-bromophenyl)ethyl]-3-oxobutaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-[2-(2-bromophenyl)ethyl]-3-oxobutaneperoxoate Traditional Name: 2-[2-(2-bromophenyl)ethyl]-3-keto-peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C23H21BrO5S MolecularWeight: 489.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1Br)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1Br)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H21BrO5S/c1-16(25)21(10-9-18-5-2-3-8-22(18)24)23(26)29-28-20-7-4-6-19(13-20)27-14-17-11-12-30-15-17/h2-8,11-13,15,21H,9-10,14H2,1H3