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

Systemtic Name: ethanenitrile; methyl (4S)-2-oxidanylidene-1-(phenylcarbonyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) Openeye Name: acetonitrile; methyl (4S)-1-benzoyl-2-oxo-imidazolidin-3-ide-4-carboxylate; rhodium(2+) CAS Name: acetonitrile; (4S)-1-benzoyl-2-oxo-4-imidazolidin-3-idecarboxylic acid methyl ester; rhodium(2+) IUPAC Name: acetonitrile; methyl (4S)-1-benzoyl-2-oxoimidazolidin-3-ide-4-carboxylate; rhodium(2+) Traditional Name: acetonitrile; (4S)-1-benzoyl-2-keto-imidazolidin-3-ide-4-carboxylic acid methyl ester; rhodium(2+) Formula: C52H50N10O16Rh2 MolecularWeight: 1276.8218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H12N2O4.2C2H3N.2Rh/c4*1-18-11(16)9-7-14(12(17)13-9)10(15)8-5-3-2-4-6-8;2*1-2-3;;/h4*2-6,9H,7H2,1H3,(H,13,17);2*1H3;;/q;;;;;;2*+2/p-4/t4*9-;;;;/m0000..../s1