tert-butyl(2-hydroxyethyl)azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: tert-butyl(2-hydroxyethyl)azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: tert-butyl(2-hydroxyethyl)ammonium; 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: tert-butyl(2-hydroxyethyl)ammonium; 2-hydroxy-2,2-diphenylacetate; bromide IUPAC Name: tert-butyl(2-hydroxyethyl)azanium; 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: benzilate; tert-butyl(2-hydroxyethyl)ammonium; bromide Formula: C20H27BrNO4- MolecularWeight: 425.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

CC(C)(C)[NH2+]CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C14H12O3.C6H15NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2,3)7-4-5-8;/h1-10,17H,(H,15,16);7-8H,4-5H2,1-3H3;1H/p-1