ethyl hydrogen sulfate; 4-hexadecylmorpholin-4-ium; 4-methylbenzenesulfonate; tridodecyl(methyl)azanium

Systemtic Name: ethyl hydrogen sulfate; 4-hexadecylmorpholin-4-ium; 4-methylbenzenesulfonate; tridodecyl(methyl)azanium Openeye Name: ethyl hydrogen sulfate; 4-hexadecylmorpholin-4-ium; 4-methylbenzenesulfonate; tridodecyl(methyl)ammonium CAS Name: 4-hexadecylmorpholin-4-ium; 4-methylbenzenesulfonate; sulfuric acid ethyl ester; tridodecyl(methyl)ammonium IUPAC Name: ethyl hydrogen sulfate; 4-hexadecylmorpholin-4-ium; 4-methylbenzenesulfonate; tridodecyl(methyl)azanium Traditional Name: 4-cetylmorpholin-4-ium; sulfuric acid ethyl ester; trilauryl(methyl)ammonium; ditosylate Formula: C73H140N2O11S3 MolecularWeight: 1318.0945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+]1CCOCC1.CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCOS(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+]1CCOCC1.CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCOS(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C37H78N.C20H41NO.2C7H8O3S.C2H6O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21;2*1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-7(3,4)5/h5-37H2,1-4H3;2-20H2,1H3;2*2-5H,1H3,(H,8,9,10);2H2,1H3,(H,3,4,5)/q+1;;;;/p-1