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

Systemtic Name: ethanenitrile; methyl (4S)-2-oxidanylidene-1-(3-phenylpropanoyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) Openeye Name: acetonitrile; methyl (4S)-2-oxo-1-(3-phenylpropanoyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) CAS Name: acetonitrile; (4S)-2-oxo-1-(1-oxo-3-phenylpropyl)-4-imidazolidin-3-idecarboxylic acid methyl ester; rhodium(2+) IUPAC Name: acetonitrile; methyl (4S)-2-oxo-1-(3-phenylpropanoyl)imidazolidin-3-ide-4-carboxylate; rhodium(2+) Traditional Name: acetonitrile; (4S)-1-hydrocinnamoyl-2-keto-imidazolidin-3-ide-4-carboxylic acid methyl ester; rhodium(2+) Formula: C60H66N10O16Rh2 MolecularWeight: 1389.03444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.COC(=O)C1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.COC(=O)C1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.COC(=O)C1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.COC(=O)C1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.[Rh+2].[Rh+2]

Isomeric SMILES

CC#N.CC#N.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.COC(=O)[C@@H]1CN(C(=O)[N-]1)C(=O)CCC2=CC=CC=C2.[Rh+2].[Rh+2]

InChI

InChI=1S/4C14H16N2O4.2C2H3N.2Rh/c4*1-20-13(18)11-9-16(14(19)15-11)12(17)8-7-10-5-3-2-4-6-10;2*1-2-3;;/h4*2-6,11H,7-9H2,1H3,(H,15,19);2*1H3;;/q;;;;;;2*+2/p-4/t4*11-;;;;/m0000..../s1