2,2-bis(fluoranyl)ethane-1,1-diol; chromium; piperidin-1-ide-4-carbonitrile; 2H-pyridin-1-ide-4-carbonitrile; hydrate

Systemtic Name: 2,2-bis(fluoranyl)ethane-1,1-diol; chromium; piperidin-1-ide-4-carbonitrile; 2H-pyridin-1-ide-4-carbonitrile; hydrate Openeye Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide-4-carbonitrile; 2H-pyridin-1-ide-4-carbonitrile; hydrate CAS Name: chromium; 2,2-difluoroethane-1,1-diol; 4-piperidin-1-idecarbonitrile; 2H-pyridin-1-ide-4-carbonitrile; hydrate IUPAC Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide-4-carbonitrile; 2H-pyridin-1-ide-4-carbonitrile; hydrate Traditional Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide-4-carbonitrile; 2H-pyridin-1-ide-4-carbonitrile; hydrate Formula: C30H49Cr3F12N6O13-3 MolecularWeight: 1085.711598

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CCC1C#N.C1C[N-]CCC1C#N.C1C=C(C=C[N-]1)C#N.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.O.[Cr].[Cr].[Cr]

Isomeric SMILES

C1C[N-]CCC1C#N.C1C[N-]CCC1C#N.C1C=C(C=C[N-]1)C#N.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.C(C(F)F)(O)O.O.[Cr].[Cr].[Cr]

InChI

InChI=1S/2C6H9N2.C6H5N2.6C2H4F2O2.3Cr.H2O/c3*7-5-6-1-3-8-4-2-6;6*3-1(4)2(5)6;;;;/h2*6H,1-4H2;1-3H,4H2;6*1-2,5-6H;;;;1H2/q3*-1;;;;;;;;;;