bromanyl-[[3-ethyl-5-phenyl-6-(phenylcarbamoyloxymethyl)-1,2,4-trioxan-5-yl]methyl]mercury

Systemtic Name: bromanyl-[[3-ethyl-5-phenyl-6-(phenylcarbamoyloxymethyl)-1,2,4-trioxan-5-yl]methyl]mercury Openeye Name: bromo-[[3-ethyl-5-phenyl-6-(phenylcarbamoyloxymethyl)-1,2,4-trioxan-5-yl]methyl]mercury CAS Name: [6-[[anilino(oxo)methoxy]methyl]-3-ethyl-5-phenyl-1,2,4-trioxan-5-yl]methyl-bromomercury IUPAC Name: bromo-[[3-ethyl-5-phenyl-6-(phenylcarbamoyloxymethyl)-1,2,4-trioxan-5-yl]methyl]mercury Traditional Name: bromo-[[3-ethyl-5-phenyl-6-(phenylcarbamoyloxymethyl)-1,2,4-trioxan-5-yl]methyl]mercury Formula: C20H22BrHgNO5 MolecularWeight: 636.88638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OC(C(OO1)COC(=O)NC2=CC=CC=C2)(C[Hg]Br)C3=CC=CC=C3

Isomeric SMILES

CCC1OC(C(OO1)COC(=O)NC2=CC=CC=C2)(C[Hg]Br)C3=CC=CC=C3

InChI

InChI=1S/C20H22NO5.BrH.Hg/c1-3-18-24-20(2,15-10-6-4-7-11-15)17(25-26-18)14-23-19(22)21-16-12-8-5-9-13-16;;/h4-13,17-18H,2-3,14H2,1H3,(H,21,22);1H;/q;;+1/p-1