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octane-1-sulfonate; pentyl 2-(3-methylimidazol-3-ium-1-yl)ethanoate

octane-1-sulfonate; pentyl 2-(3-methylimidazol-3-ium-1-yl)ethanoate

Systemtic Name:octane-1-sulfonate; pentyl 2-(3-methylimidazol-3-ium-1-yl)ethanoate
Openeye Name:octane-1-sulfonate; pentyl 2-(3-methylimidazol-3-ium-1-yl)acetate
CAS Name:2-(3-methyl-1-imidazol-3-iumyl)acetic acid pentyl ester; 1-octanesulfonate
IUPAC Name:octane-1-sulfonate; pentyl 2-(3-methylimidazol-3-ium-1-yl)acetate
Traditional Name:2-(3-methylimidazol-3-ium-1-yl)acetic acid amyl ester; octane-1-sulfonate
Formula: C19H36N2O5S
MolecularWeight: 404.56454
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CCCCCOC(=O)CN1C=C[N+](=C1)C


Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CCCCCOC(=O)CN1C=C[N+](=C1)C


InChI

InChI=1S/C11H19N2O2.C8H18O3S/c1-3-4-5-8-15-11(14)9-13-7-6-12(2)10-13;1-2-3-4-5-6-7-8-12(9,10)11/h6-7,10H,3-5,8-9H2,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1


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