5,9-diethyltridecan-7-yl(diethyl)azanium sulfate

Systemtic Name: 5,9-diethyltridecan-7-yl(diethyl)azanium sulfate Openeye Name: diethyl-[3-ethyl-1-(2-ethylhexyl)heptyl]ammonium sulfate CAS Name: 5,9-diethyltridecan-7-yl(diethyl)ammonium sulfate IUPAC Name: 5,9-diethyltridecan-7-yl(diethyl)azanium sulfate Traditional Name: diethyl-[3-ethyl-1-(2-ethylhexyl)heptyl]ammonium sulfate Formula: C21H46NO4S- MolecularWeight: 408.65924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)[NH+](CC)CC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)[NH+](CC)CC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H45N.H2O4S/c1-7-13-15-19(9-3)17-21(22(11-5)12-6)18-20(10-4)16-14-8-2;1-5(2,3)4/h19-21H,7-18H2,1-6H3;(H2,1,2,3,4)/p-1