decane-1-sulfonate; (1,1-diethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: decane-1-sulfonate; (1,1-diethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: decane-1-sulfonate; (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: 1-decanesulfonate; 2-hydroxy-2,2-diphenylacetic acid (1,1-diethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: decane-1-sulfonate; (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate Traditional Name: decane-1-sulfonate; 2-hydroxy-2,2-diphenyl-acetic acid (1,1-diethylpyrrolidin-1-ium-3-yl) ester Formula: C32H49NO6S MolecularWeight: 575.79956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)[O-].CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC

Isomeric SMILES

CCCCCCCCCCS(=O)(=O)[O-].CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC

InChI

InChI=1S/C22H28NO3.C10H22O3S/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-2-3-4-5-6-7-8-9-10-14(11,12)13/h5-14,20,25H,3-4,15-17H2,1-2H3;2-10H2,1H3,(H,11,12,13)/q+1;/p-1