3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butane-2-thiolate; carbon monoxide; rhodium; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butane-2-thiolate; carbon monoxide; rhodium; tris(fluoranyl)methanesulfonic acid Openeye Name: 3-amino-4-hydroxy-2-methyl-4-oxo-butane-2-thiolate; carbon monoxide; rhodium; trifluoromethanesulfonic acid CAS Name: 3-amino-4-hydroxy-2-methyl-4-oxo-2-butanethiolate; carbon monoxide; rhodium; trifluoromethanesulfonic acid IUPAC Name: 3-amino-4-hydroxy-2-methyl-4-oxobutane-2-thiolate; carbon monoxide; rhodium; trifluoromethanesulfonic acid Traditional Name: 3-amino-4-hydroxy-4-keto-2-methyl-butane-2-thiolate; carbon monoxide; rhodium; triflic acid Formula: C16H22F6N2O14Rh2S4-2 MolecularWeight: 914.412299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)[S-].CC(C)(C(C(=O)O)N)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.[Rh].[Rh]

Isomeric SMILES

CC(C)(C(C(=O)O)N)[S-].CC(C)(C(C(=O)O)N)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.[Rh].[Rh]

InChI

InChI=1S/2C5H11NO2S.2CHF3O3S.4CO.2Rh/c2*1-5(2,9)3(6)4(7)8;2*2-1(3,4)8(5,6)7;4*1-2;;/h2*3,9H,6H2,1-2H3,(H,7,8);2*(H,5,6,7);;;;;;/p-2