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4-methylbenzenesulfonate; tridodecyl(methyl)azanium

4-methylbenzenesulfonate; tridodecyl(methyl)azanium

Systemtic Name:4-methylbenzenesulfonate; tridodecyl(methyl)azanium
Openeye Name:4-methylbenzenesulfonate; tridodecyl(methyl)ammonium
CAS Name:4-methylbenzenesulfonate; tridodecyl(methyl)ammonium
IUPAC Name:4-methylbenzenesulfonate; tridodecyl(methyl)azanium
Traditional Name:trilauryl(methyl)ammonium tosylate
Formula: C44H85NO3S
MolecularWeight: 708.2156
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C37H78N.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5-37H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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