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2-methylbenzenesulfonate; methyl(trioctyl)azanium

2-methylbenzenesulfonate; methyl(trioctyl)azanium

Systemtic Name:2-methylbenzenesulfonate; methyl(trioctyl)azanium
Openeye Name:2-methylbenzenesulfonate; methyl(trioctyl)ammonium
CAS Name:2-methylbenzenesulfonate; methyl(trioctyl)ammonium
IUPAC Name:2-methylbenzenesulfonate; methyl(trioctyl)azanium
Traditional Name:2-methylbesylate; methyl(trioctyl)ammonium
Formula: C32H61NO3S
MolecularWeight: 539.89664
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=CC=C1S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=CC=C1S(=O)(=O)[O-]


InChI

InChI=1S/C25H54N.C7H8O3S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-6-4-2-3-5-7(6)11(8,9)10/h5-25H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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