[2-methyl-3-[1-oxidanylidene-1-[2,3,4-tris(chloranyl)phenoxy]butan-2-yl]pentadecan-2-yl]azanium iodide

Systemtic Name: [2-methyl-3-[1-oxidanylidene-1-[2,3,4-tris(chloranyl)phenoxy]butan-2-yl]pentadecan-2-yl]azanium iodide Openeye Name: [1,1-dimethyl-2-[1-(2,3,4-trichlorophenoxy)carbonylpropyl]tetradecyl]ammonium iodide CAS Name: [2-methyl-3-[1-oxo-1-(2,3,4-trichlorophenoxy)butan-2-yl]pentadecan-2-yl]ammonium iodide IUPAC Name: [2-methyl-3-[1-oxo-1-(2,3,4-trichlorophenoxy)butan-2-yl]pentadecan-2-yl]azanium iodide Traditional Name: [1,1-dimethyl-2-[1-(2,3,4-trichlorophenoxy)carbonylpropyl]tetradecyl]ammonium iodide Formula: C26H43Cl3INO2 MolecularWeight: 634.88859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(CC)C(=O)OC1=C(C(=C(C=C1)Cl)Cl)Cl)C(C)(C)[NH3+].[I-]

Isomeric SMILES

CCCCCCCCCCCCC(C(CC)C(=O)OC1=C(C(=C(C=C1)Cl)Cl)Cl)C(C)(C)[NH3+].[I-]

InChI

InChI=1S/C26H42Cl3NO2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-20(26(3,4)30)19(6-2)25(31)32-22-18-17-21(27)23(28)24(22)29;/h17-20H,5-16,30H2,1-4H3;1H