ethyl sulfate; 3-hexadecylnonadecan-2-ylazanium

Systemtic Name: ethyl sulfate; 3-hexadecylnonadecan-2-ylazanium Openeye Name: ethyl sulfate; (2-hexadecyl-1-methyl-octadecyl)ammonium CAS Name: ethyl sulfate; 3-hexadecylnonadecan-2-ylammonium IUPAC Name: ethyl sulfate; 3-hexadecylnonadecan-2-ylazanium Traditional Name: (2-cetyl-1-methyl-octadecyl)ammonium; ethyl sulfate Formula: C37H79NO4S MolecularWeight: 634.09246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(C)[NH3+].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(C)[NH3+].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C35H73N.C2H6O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(34(3)36)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-6-7(3,4)5/h34-35H,4-33,36H2,1-3H3;2H2,1H3,(H,3,4,5)