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benzenesulfonate; 3-bromanylprop-2-ynyl-methyl-dioctyl-azanium

benzenesulfonate; 3-bromanylprop-2-ynyl-methyl-dioctyl-azanium

Systemtic Name:benzenesulfonate; 3-bromanylprop-2-ynyl-methyl-dioctyl-azanium
Openeye Name:benzenesulfonate; 3-bromoprop-2-ynyl-methyl-dioctyl-ammonium
CAS Name:benzenesulfonate; 3-bromoprop-2-ynyl-methyl-dioctylammonium
IUPAC Name:benzenesulfonate; 3-bromoprop-2-ynyl-methyl-dioctylazanium
Traditional Name:3-bromoprop-2-ynyl-methyl-dioctyl-ammonium besylate
Formula: C26H44BrNO3S
MolecularWeight: 530.60146
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H39BrN.C6H6O3S/c1-4-6-8-10-12-14-18-22(3,20-16-17-21)19-15-13-11-9-7-5-2;7-10(8,9)6-4-2-1-3-5-6/h4-15,18-20H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1


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