(3-iodanyl-2-nitro-phenyl) 2-ethyl-3-oxidanylidene-hexadecaneperoxoate

Systemtic Name: (3-iodanyl-2-nitro-phenyl) 2-ethyl-3-oxidanylidene-hexadecaneperoxoate Openeye Name: (3-iodo-2-nitro-phenyl) 2-ethyl-3-oxo-hexadecaneperoxoate CAS Name: 2-ethyl-3-oxohexadecaneperoxoic acid (3-iodo-2-nitrophenyl) ester IUPAC Name: (3-iodo-2-nitrophenyl) 2-ethyl-3-oxohexadecaneperoxoate Traditional Name: 2-ethyl-3-keto-peroxypalmitic acid (3-iodo-2-nitro-phenyl) ester Formula: C24H36INO6 MolecularWeight: 561.45021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(CC)C(=O)OOC1=C(C(=CC=C1)I)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(CC)C(=O)OOC1=C(C(=CC=C1)I)[N+](=O)[O-]

InChI

InChI=1S/C24H36INO6/c1-3-5-6-7-8-9-10-11-12-13-14-17-21(27)19(4-2)24(28)32-31-22-18-15-16-20(25)23(22)26(29)30/h15-16,18-19H,3-14,17H2,1-2H3