ethanoic acid; ethylidynemolybdenum; molybdenum(2+); tris(fluoranyl)methanesulfonate; trihydrate

Systemtic Name: ethanoic acid; ethylidynemolybdenum; molybdenum(2+); tris(fluoranyl)methanesulfonate; trihydrate Openeye Name: acetic acid; ethylidynemolybdenum; molybdenum(2+); trifluoromethanesulfonate; trihydrate CAS Name: acetic acid; ethylidynemolybdenum; molybdenum(2+); trifluoromethanesulfonate; trihydrate IUPAC Name: acetic acid; ethylidynemolybdenum; molybdenum(2+); trifluoromethanesulfonate; trihydrate Traditional Name: acetic acid; ethylidynemolybdenum; molybdenum(2+); ditriflate; trihydrate Formula: C18H36F6Mo3O21S2 MolecularWeight: 1054.406259

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Descriptors Computed from Structure

Canonical SMILES:

CC#[Mo].CC#[Mo].CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.O.O.[Mo+2]

Isomeric SMILES

CC#[Mo].CC#[Mo].CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.O.O.[Mo+2]

InChI

InChI=1S/6C2H4O2.2C2H3.2CHF3O3S.3Mo.3H2O/c6*1-2(3)4;2*1-2;2*2-1(3,4)8(5,6)7;;;;;;/h6*1H3,(H,3,4);2*1H3;2*(H,5,6,7);;;;3*1H2/q;;;;;;;;;;;;+2;;;/p-2