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

Systemtic Name: [2-methyl-3-[1-oxidanylidene-1-[2,3,4-tris(chloranyl)phenoxy]butan-2-yl]tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[1-(2,3,4-trichlorophenoxy)carbonylpropyl]dodecyl]ammonium bromide CAS Name: [2-methyl-3-[1-oxo-1-(2,3,4-trichlorophenoxy)butan-2-yl]tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-[1-oxo-1-(2,3,4-trichlorophenoxy)butan-2-yl]tridecan-2-yl]azanium bromide Traditional Name: [1,1-dimethyl-2-[1-(2,3,4-trichlorophenoxy)carbonylpropyl]dodecyl]ammonium bromide Formula: C24H39BrCl3NO2 MolecularWeight: 559.83496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CC)C(=O)OC1=C(C(=C(C=C1)Cl)Cl)Cl)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(C(CC)C(=O)OC1=C(C(=C(C=C1)Cl)Cl)Cl)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C24H38Cl3NO2.BrH/c1-5-7-8-9-10-11-12-13-14-18(24(3,4)28)17(6-2)23(29)30-20-16-15-19(25)21(26)22(20)27;/h15-18H,5-14,28H2,1-4H3;1H