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4-methylbenzenesulfonate; tetradodecylazanium

4-methylbenzenesulfonate; tetradodecylazanium

Systemtic Name:4-methylbenzenesulfonate; tetradodecylazanium
Openeye Name:4-methylbenzenesulfonate; tetradodecylammonium
CAS Name:4-methylbenzenesulfonate; tetradodecylammonium
IUPAC Name:4-methylbenzenesulfonate; tetradodecylazanium
Traditional Name:tetralaurylammonium tosylate
Formula: C55H107NO3S
MolecularWeight: 862.50798
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C48H100N.C7H8O3S/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-48H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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