ethyl sulfate; 5,7,9-triethyltridecan-7-ylazanium

Systemtic Name: ethyl sulfate; 5,7,9-triethyltridecan-7-ylazanium Openeye Name: [1,3-diethyl-1-(2-ethylhexyl)heptyl]ammonium; ethyl sulfate CAS Name: ethyl sulfate; 5,7,9-triethyltridecan-7-ylammonium IUPAC Name: ethyl sulfate; 5,7,9-triethyltridecan-7-ylazanium Traditional Name: [1,3-diethyl-1-(2-ethylhexyl)heptyl]ammonium; ethyl sulfate Formula: C21H47NO4S MolecularWeight: 409.66718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC)(CC(CC)CCCC)[NH3+].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(CC)(CC(CC)CCCC)[NH3+].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C19H41N.C2H6O4S/c1-6-11-13-17(8-3)15-19(20,10-5)16-18(9-4)14-12-7-2;1-2-6-7(3,4)5/h17-18H,6-16,20H2,1-5H3;2H2,1H3,(H,3,4,5)