5,5-diphenylpent-4-en-2-ynyl-methyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 5,5-diphenylpent-4-en-2-ynyl-methyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 5,5-diphenylpent-4-en-2-ynyl-methyl-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-methyl-ammonium binoxalate Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC#CC=C(C1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CC#CC=C(C1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H23N.C2H2O4/c1-26(21-22-13-5-2-6-14-22)20-12-11-19-25(23-15-7-3-8-16-23)24-17-9-4-10-18-24;3-1(4)2(5)6/h2-10,13-19H,20-21H2,1H3;(H,3,4)(H,5,6)