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

Systemtic Name: ethanenitrile; [4-methoxycarbonyl-1-(phenylcarbonyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+) Openeye Name: acetonitrile; (1-benzoyl-4-methoxycarbonyl-imidazolidin-3-ium-2-ylidene)oxonium; rhodium(2+) CAS Name: acetonitrile; (1-benzoyl-4-methoxycarbonyl-2-imidazolidin-3-iumylidene)oxonium; rhodium(2+) IUPAC Name: acetonitrile; (1-benzoyl-4-methoxycarbonylimidazolidin-3-ium-2-ylidene)oxidanium; rhodium(2+) Traditional Name: acetonitrile; (1-benzoyl-4-carbomethoxy-imidazolidin-3-ium-2-ylidene)oxonium; rhodium(2+) Formula: C26H31N5O8Rh+6 MolecularWeight: 644.45854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H12N2O4.C2H3N.Rh/c2*1-18-11(16)9-7-14(12(17)13-9)10(15)8-5-3-2-4-6-8;1-2-3;/h2*2-6,9H,7H2,1H3,(H,13,17);1H3;/q;;;+2/p+4