benzenesulfonate; 3-bromanylprop-2-ynyl-tris(8-methylnonyl)azanium

Systemtic Name: benzenesulfonate; 3-bromanylprop-2-ynyl-tris(8-methylnonyl)azanium Openeye Name: benzenesulfonate; 3-bromoprop-2-ynyl-tris(8-methylnonyl)ammonium CAS Name: benzenesulfonate; 3-bromoprop-2-ynyl-tris(8-methylnonyl)ammonium IUPAC Name: benzenesulfonate; 3-bromoprop-2-ynyl-tris(8-methylnonyl)azanium Traditional Name: 3-bromoprop-2-ynyl-tris(8-methylnonyl)ammonium besylate Formula: C39H70BrNO3S MolecularWeight: 712.947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H65BrN.C6H6O3S/c1-31(2)23-16-10-7-13-19-27-35(30-22-26-34,28-20-14-8-11-17-24-32(3)4)29-21-15-9-12-18-25-33(5)6;7-10(8,9)6-4-2-1-3-5-6/h31-33H,7-21,23-25,27-30H2,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1