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3-[dibutyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate

3-[dibutyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate

Systemtic Name:3-[dibutyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate
Openeye Name:3-[dibutyl(3-phenylprop-2-ynyl)ammonio]propane-1-sulfonate
CAS Name:3-[dibutyl(3-phenylprop-2-ynyl)ammonio]-1-propanesulfonate
IUPAC Name:3-[dibutyl(3-phenylprop-2-ynyl)azaniumyl]propane-1-sulfonate
Traditional Name:3-[dibutyl(3-phenylprop-2-ynyl)ammonio]propane-1-sulfonate
Formula: C20H31NO3S
MolecularWeight: 365.53004
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCS(=O)(=O)[O-])CC#CC1=CC=CC=C1


Isomeric SMILES

CCCC[N+](CCCC)(CCCS(=O)(=O)[O-])CC#CC1=CC=CC=C1


InChI

InChI=1S/C20H31NO3S/c1-3-5-15-21(16-6-4-2,18-11-19-25(22,23)24)17-10-14-20-12-8-7-9-13-20/h7-9,12-13H,3-6,11,15-19H2,1-2H3


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