[3,5-bis[bis(oxidanyl)methyl]phenyl]methanediol; gadolinium; heptahydrate

Systemtic Name: [3,5-bis[bis(oxidanyl)methyl]phenyl]methanediol; gadolinium; heptahydrate Openeye Name: [3,5-bis(dihydroxymethyl)phenyl]methanediol; gadolinium; heptahydrate CAS Name: [3,5-bis(dihydroxymethyl)phenyl]methanediol; gadolinium; heptahydrate IUPAC Name: [3,5-bis(dihydroxymethyl)phenyl]methanediol; gadolinium; heptahydrate Traditional Name: [3,5-bis(dihydroxymethyl)phenyl]methanediol; gadolinium; heptahydrate Formula: C9H26Gd3O13 MolecularWeight: 814.04494

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(O)O)C(O)O)C(O)O.O.O.O.O.O.O.O.[Gd].[Gd].[Gd]

Isomeric SMILES

C1=C(C=C(C=C1C(O)O)C(O)O)C(O)O.O.O.O.O.O.O.O.[Gd].[Gd].[Gd]

InChI

InChI=1S/C9H12O6.3Gd.7H2O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;;;;;;;;/h1-3,7-15H;;;;7*1H2