azanium; propane; [3-(trifluoromethyl)phenyl]methyl 2-phenylethaneperoxoate; hydrate

Systemtic Name: azanium; propane; [3-(trifluoromethyl)phenyl]methyl 2-phenylethaneperoxoate; hydrate Openeye Name: ammonium; propane; [3-(trifluoromethyl)phenyl]methyl 2-phenylperoxyacetate; hydrate CAS Name: ammonium; 2-phenylethaneperoxoic acid [3-(trifluoromethyl)phenyl]methyl ester; propane; hydrate IUPAC Name: azanium; propane; [3-(trifluoromethyl)phenyl]methyl 2-phenylethaneperoxoate; hydrate Traditional Name: ammonium; n-propane; 2-phenylperacetic acid [3-(trifluoromethyl)benzyl] ester; hydrate Formula: C19H27F3NO4+ MolecularWeight: 390.41719

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)CC(=O)OOCC2=CC(=CC=C2)C(F)(F)F.[NH4+].O

Isomeric SMILES

CCC.C1=CC=C(C=C1)CC(=O)OOCC2=CC(=CC=C2)C(F)(F)F.[NH4+].O

InChI

InChI=1S/C16H13F3O3.C3H8.H3N.H2O/c17-16(18,19)14-8-4-7-13(9-14)11-21-22-15(20)10-12-5-2-1-3-6-12;1-3-2;;/h1-9H,10-11H2;3H2,1-2H3;1H3;1H2/p+1