[4,4-bis(chloranyl)-2-(3,5-dimethyl-4-nitro-phenyl)-1-iodanyl-pentan-2-yl] ethanoate

Systemtic Name: [4,4-bis(chloranyl)-2-(3,5-dimethyl-4-nitro-phenyl)-1-iodanyl-pentan-2-yl] ethanoate Openeye Name: [3,3-dichloro-1-(3,5-dimethyl-4-nitro-phenyl)-1-(iodomethyl)butyl] acetate CAS Name: acetic acid [4,4-dichloro-2-(3,5-dimethyl-4-nitrophenyl)-1-iodopentan-2-yl] ester IUPAC Name: [4,4-dichloro-2-(3,5-dimethyl-4-nitrophenyl)-1-iodopentan-2-yl] acetate Traditional Name: acetic acid [3,3-dichloro-1-(3,5-dimethyl-4-nitro-phenyl)-1-(iodomethyl)butyl] ester Formula: C15H18Cl2INO4 MolecularWeight: 474.11819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(CC(C)(Cl)Cl)(CI)OC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(CC(C)(Cl)Cl)(CI)OC(=O)C

InChI

InChI=1S/C15H18Cl2INO4/c1-9-5-12(6-10(2)13(9)19(21)22)15(8-18,23-11(3)20)7-14(4,16)17/h5-6H,7-8H2,1-4H3