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cyanomethyl-methyl-dioctyl-azanium; 2-propan-2-ylbenzenesulfonate

cyanomethyl-methyl-dioctyl-azanium; 2-propan-2-ylbenzenesulfonate

Systemtic Name:cyanomethyl-methyl-dioctyl-azanium; 2-propan-2-ylbenzenesulfonate
Openeye Name:cyanomethyl-methyl-dioctyl-ammonium; 2-isopropylbenzenesulfonate
CAS Name:cyanomethyl-methyl-dioctylammonium; 2-propan-2-ylbenzenesulfonate
IUPAC Name:cyanomethyl-methyl-dioctylazanium; 2-propan-2-ylbenzenesulfonate
Traditional Name:cyanomethyl-methyl-dioctyl-ammonium; 2-isopropylbesylate
Formula: C28H50N2O3S
MolecularWeight: 494.7732
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CC#N.CC(C)C1=CC=CC=C1S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CC#N.CC(C)C1=CC=CC=C1S(=O)(=O)[O-]


InChI

InChI=1S/C19H39N2.C9H12O3S/c1-4-6-8-10-12-14-17-21(3,19-16-20)18-15-13-11-9-7-5-2;1-7(2)8-5-3-4-6-9(8)13(10,11)12/h4-15,17-19H2,1-3H3;3-7H,1-2H3,(H,10,11,12)/q+1;/p-1


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