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

Systemtic Name: 5,5-diphenylpent-4-en-2-ynyl-(phenylmethyl)-propan-2-yl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-isopropyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 5,5-diphenylpent-4-en-2-ynyl-(phenylmethyl)-propan-2-ylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-propan-2-ylazanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-isopropyl-ammonium binoxalate Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H27N.C2H2O4/c1-23(2)28(22-24-14-6-3-7-15-24)21-13-12-20-27(25-16-8-4-9-17-25)26-18-10-5-11-19-26;3-1(4)2(5)6/h3-11,14-20,23H,21-22H2,1-2H3;(H,3,4)(H,5,6)