[3-[2-[phenyl(thiophen-2-yl)methyl]sulfanylethyl]-1-benzofuran-7-yl] propaneperoxoate

Systemtic Name: [3-[2-[phenyl(thiophen-2-yl)methyl]sulfanylethyl]-1-benzofuran-7-yl] propaneperoxoate Openeye Name: [3-[2-[phenyl(2-thienyl)methyl]sulfanylethyl]benzofuran-7-yl] propaneperoxoate CAS Name: propaneperoxoic acid [3-[2-[[phenyl(thiophen-2-yl)methyl]thio]ethyl]-7-benzofuranyl] ester IUPAC Name: [3-[2-[phenyl(thiophen-2-yl)methyl]sulfanylethyl]-1-benzofuran-7-yl] propaneperoxoate Traditional Name: peroxypropionic acid [3-[2-[[phenyl(2-thienyl)methyl]thio]ethyl]benzofuran-7-yl] ester Formula: C24H22O4S2 MolecularWeight: 438.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OOC1=CC=CC2=C1OC=C2CCSC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCC(=O)OOC1=CC=CC2=C1OC=C2CCSC(C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H22O4S2/c1-2-22(25)28-27-20-11-6-10-19-18(16-26-23(19)20)13-15-30-24(21-12-7-14-29-21)17-8-4-3-5-9-17/h3-12,14,16,24H,2,13,15H2,1H3