[3-(thiophen-3-ylmethoxy)phenyl] 2-[(E)-hydroxyiminomethyl]-4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-[(E)-hydroxyiminomethyl]-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-[(E)-hydroxyiminomethyl]-4-(o-tolyl)butaneperoxoate CAS Name: 2-[(E)-hydroxyiminomethyl]-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-[(E)-hydroxyiminomethyl]-4-(2-methylphenyl)butaneperoxoate Traditional Name: 2-[(E)-hydroximinomethyl]-4-(o-tolyl)peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C=NO)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(/C=N/O)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H23NO5S/c1-17-5-2-3-6-19(17)9-10-20(14-24-26)23(25)29-28-22-8-4-7-21(13-22)27-15-18-11-12-30-16-18/h2-8,11-14,16,20,26H,9-10,15H2,1H3/b24-14+