2-(4-phenylphenyl)ethanoate; triethyl(2-hydroxyethyl)azanium; iodide

Systemtic Name: 2-(4-phenylphenyl)ethanoate; triethyl(2-hydroxyethyl)azanium; iodide Openeye Name: 2-(4-phenylphenyl)acetate; triethyl(2-hydroxyethyl)ammonium; iodide CAS Name: 2-(4-phenylphenyl)acetate; triethyl(2-hydroxyethyl)ammonium; iodide IUPAC Name: 2-(4-phenylphenyl)acetate; triethyl(2-hydroxyethyl)azanium; iodide Traditional Name: 2-(4-phenylphenyl)acetate; triethyl(2-hydroxyethyl)ammonium; iodide Formula: C22H31INO3- MolecularWeight: 484.39091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2.C8H20NO.HI/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-4-9(5-2,6-3)7-8-10;/h1-9H,10H2,(H,15,16);10H,4-8H2,1-3H3;1H/q;+1;/p-2