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

Systemtic Name: 2,2-bis(fluoranyl)ethane-1,1-diol; chromium; piperidin-1-ide; 2H-pyridin-1-ide; hydrate Openeye Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide; 2H-pyridin-1-ide; hydrate CAS Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide; 2H-pyridin-1-ide; hydrate IUPAC Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide; 2H-pyridin-1-ide; hydrate Traditional Name: chromium; 2,2-difluoroethane-1,1-diol; piperidin-1-ide; 2H-pyridin-1-ide; hydrate Formula: C27H52Cr3F12N3O13-3 MolecularWeight: 1010.683218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.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

C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.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/2C5H10N.C5H6N.6C2H4F2O2.3Cr.H2O/c3*1-2-4-6-5-3-1;6*3-1(4)2(5)6;;;;/h2*1-5H2;1-4H,5H2;6*1-2,5-6H;;;;1H2/q3*-1;;;;;;;;;;