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but-3-ynyl-[12-[but-3-ynyl(dimethyl)azaniumyl]dodecyl]-dimethyl-azanium; 4-methylbenzenesulfonate

but-3-ynyl-[12-[but-3-ynyl(dimethyl)azaniumyl]dodecyl]-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name:but-3-ynyl-[12-[but-3-ynyl(dimethyl)azaniumyl]dodecyl]-dimethyl-azanium; 4-methylbenzenesulfonate
Openeye Name:but-3-ynyl-[12-[but-3-ynyl(dimethyl)ammonio]dodecyl]-dimethyl-ammonium; 4-methylbenzenesulfonate
CAS Name:but-3-ynyl-[12-[but-3-ynyl(dimethyl)ammonio]dodecyl]-dimethylammonium; 4-methylbenzenesulfonate
IUPAC Name:but-3-ynyl-[12-[but-3-ynyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium; 4-methylbenzenesulfonate
Traditional Name:but-3-ynyl-[12-[but-3-ynyl(dimethyl)ammonio]dodecyl]-dimethyl-ammonium ditosylate
Formula: C38H60N2O6S2
MolecularWeight: 705.0228
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C24H46N2.2C7H8O3S/c1-7-9-21-25(3,4)23-19-17-15-13-11-12-14-16-18-20-24-26(5,6)22-10-8-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-2H,9-24H2,3-6H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2


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