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

Systemtic Name: 2-oxidanyl-2,2-diphenyl-ethanoate; triethyl(2-hydroxyethyl)azanium; bromide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; triethyl(2-hydroxyethyl)ammonium; bromide CAS Name: 2-hydroxy-2,2-diphenylacetate; triethyl(2-hydroxyethyl)ammonium; bromide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; triethyl(2-hydroxyethyl)azanium; bromide Traditional Name: benzilate; triethyl(2-hydroxyethyl)ammonium; bromide Formula: C22H31BrNO4- MolecularWeight: 453.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C8H20NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-9(5-2,6-3)7-8-10;/h1-10,17H,(H,15,16);10H,4-8H2,1-3H3;1H/q;+1;/p-2