ethanenitrile; methyl (4S)-2-oxidanylidene-1-(2-phenylethanoyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+)

Systemtic Name: ethanenitrile; methyl (4S)-2-oxidanylidene-1-(2-phenylethanoyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) Openeye Name: acetonitrile; methyl (4S)-2-oxo-1-(2-phenylacetyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) CAS Name: acetonitrile; (4S)-2-oxo-1-(1-oxo-2-phenylethyl)-4-imidazolidin-3-idecarboxylic acid methyl ester; rhodium(2+) IUPAC Name: acetonitrile; methyl (4S)-2-oxo-1-(2-phenylacetyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) Traditional Name: acetonitrile; (4S)-2-keto-1-(2-phenylacetyl)imidazolidin-3-ide-4-carboxylic acid methyl ester; rhodium(2+) Formula: C56H58N10O16Rh2 MolecularWeight: 1332.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.COC(=O)C1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.COC(=O)C1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.COC(=O)C1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.COC(=O)C1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.[Rh+2].[Rh+2]

Isomeric SMILES

CC#N.CC#N.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CC2=CC=CC=C2.[Rh+2].[Rh+2]

InChI

InChI=1S/4C13H14N2O4.2C2H3N.2Rh/c4*1-19-12(17)10-8-15(13(18)14-10)11(16)7-9-5-3-2-4-6-9;2*1-2-3;;/h4*2-6,10H,7-8H2,1H3,(H,14,18);2*1H3;;/q;;;;;;2*+2/p-4/t4*10-;;;;/m0000..../s1