(5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-(2-hydroxyethyl)-phenethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-(2-hydroxyethyl)-phenethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)-(2-hydroxyethyl)-phenethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-(2-hydroxyethyl)-phenethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-(2-hydroxyethyl)-phenethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: (5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)-(2-hydroxyethyl)-phenethyl-ammonium binoxalate Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(CC#CC[NH+](CCC2=CC=CC=C2)CCO)(C3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCC(C1)C(CC#CC[NH+](CCC2=CC=CC=C2)CCO)(C3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H33NO2.C2H2O4/c28-22-21-27(20-17-23-11-3-1-4-12-23)19-10-9-18-26(29,25-15-7-8-16-25)24-13-5-2-6-14-24;3-1(4)2(5)6/h1-6,11-14,25,28-29H,7-8,15-22H2;(H,3,4)(H,5,6)