diethyl-[5-(4-methoxyphenyl)-5-phenyl-pent-2-ynyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: diethyl-[5-(4-methoxyphenyl)-5-phenyl-pent-2-ynyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[5-(4-methoxyphenyl)-5-phenyl-pent-2-ynyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[5-(4-methoxyphenyl)-5-phenylpent-2-ynyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[5-(4-methoxyphenyl)-5-phenylpent-2-ynyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[5-(4-methoxyphenyl)-5-phenyl-pent-2-ynyl]ammonium binoxalate Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCC(C1=CC=CC=C1)C2=CC=C(C=C2)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CC#CCC(C1=CC=CC=C1)C2=CC=C(C=C2)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H27NO.C2H2O4/c1-4-23(5-2)18-10-9-13-22(19-11-7-6-8-12-19)20-14-16-21(24-3)17-15-20;3-1(4)2(5)6/h6-8,11-12,14-17,22H,4-5,13,18H2,1-3H3;(H,3,4)(H,5,6)