ethyl(5,7,9-triethyltridecan-7-yl)azanium sulfate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC)(CC(CC)CCCC)[NH2+]CC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(CC)(CC(CC)CCCC)[NH2+]CC.[O-]S(=O)(=O)[O-]

InChI

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