[3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonylpiperazin-1-yl]phenyl] 2-methylpropaneperoxoate

Systemtic Name: [3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonylpiperazin-1-yl]phenyl] 2-methylpropaneperoxoate Openeye Name: [3-[4-(4-hydroxy-3,5-diiodo-benzoyl)piperazin-1-yl]phenyl] 2-methylpropaneperoxoate CAS Name: 2-methylpropaneperoxoic acid [3-[4-[(4-hydroxy-3,5-diiodophenyl)-oxomethyl]-1-piperazinyl]phenyl] ester IUPAC Name: [3-[4-(4-hydroxy-3,5-diiodobenzoyl)piperazin-1-yl]phenyl] 2-methylpropaneperoxoate Traditional Name: 2-methylperoxypropionic acid [3-[4-(4-hydroxy-3,5-diiodo-benzoyl)piperazino]phenyl] ester Formula: C21H22I2N2O5 MolecularWeight: 636.21872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OOC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)I)O)I

Isomeric SMILES

CC(C)C(=O)OOC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)I)O)I

InChI

InChI=1S/C21H22I2N2O5/c1-13(2)21(28)30-29-16-5-3-4-15(12-16)24-6-8-25(9-7-24)20(27)14-10-17(22)19(26)18(23)11-14/h3-5,10-13,26H,6-9H2,1-2H3