ethanenitrile; [4-methoxycarbonyl-1-(2-phenylethanoyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+)

Systemtic Name: ethanenitrile; [4-methoxycarbonyl-1-(2-phenylethanoyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+) Openeye Name: acetonitrile; [4-methoxycarbonyl-1-(2-phenylacetyl)imidazolidin-3-ium-2-ylidene]oxonium; rhodium(2+) CAS Name: acetonitrile; [4-methoxycarbonyl-1-(1-oxo-2-phenylethyl)-2-imidazolidin-3-iumylidene]oxonium; rhodium(2+) IUPAC Name: acetonitrile; [4-methoxycarbonyl-1-(2-phenylacetyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+) Traditional Name: acetonitrile; [4-carbomethoxy-1-(2-phenylacetyl)imidazolidin-3-ium-2-ylidene]oxonium; rhodium(2+) Formula: C28H35N5O8Rh+6 MolecularWeight: 672.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CC2=CC=CC=C2.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CC2=CC=CC=C2.[Rh+2]

Isomeric SMILES

CC#N.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CC2=CC=CC=C2.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CC2=CC=CC=C2.[Rh+2]

InChI

InChI=1S/2C13H14N2O4.C2H3N.Rh/c2*1-19-12(17)10-8-15(13(18)14-10)11(16)7-9-5-3-2-4-6-9;1-2-3;/h2*2-6,10H,7-8H2,1H3,(H,14,18);1H3;/q;;;+2/p+4