pentaoxidanium; 2-chloranylethane-1,1-diol; gadolinium; pentahydrate

Systemtic Name: pentaoxidanium; 2-chloranylethane-1,1-diol; gadolinium; pentahydrate Openeye Name: pentaoxonium; 2-chloroethane-1,1-diol; gadolinium; pentahydrate CAS Name: pentaoxonium; 2-chloroethane-1,1-diol; gadolinium; pentahydrate IUPAC Name: pentaoxidanium; 2-chloroethane-1,1-diol; gadolinium; pentahydrate Traditional Name: pentaoxonium; 2-chloroethane-1,1-diol; gadolinium; pentahydrate Formula: C18H70Cl9Gd5O28+5 MolecularWeight: 1840.0586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.O.O.O.O.[Gd].[Gd].[Gd].[Gd].[Gd]

Isomeric SMILES

C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.C(C(O)O)Cl.[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.O.O.O.O.[Gd].[Gd].[Gd].[Gd].[Gd]

InChI

InChI=1S/9C2H5ClO2.5Gd.10H2O/c9*3-1-2(4)5;;;;;;;;;;;;;;;/h9*2,4-5H,1H2;;;;;;10*1H2/p+5