3,5-bis[bis(oxidanyl)methyl]benzoate; [3,5-bis[bis(oxidanyl)methyl]phenyl]methanediol; cadmium; tetradecahydrate

Systemtic Name: 3,5-bis[bis(oxidanyl)methyl]benzoate; [3,5-bis[bis(oxidanyl)methyl]phenyl]methanediol; cadmium; tetradecahydrate Openeye Name: 3,5-bis(dihydroxymethyl)benzoate; [3,5-bis(dihydroxymethyl)phenyl]methanediol; cadmium; tetradecahydrate CAS Name: 3,5-bis(dihydroxymethyl)benzoate; [3,5-bis(dihydroxymethyl)phenyl]methanediol; cadmium; tetradecahydrate IUPAC Name: 3,5-bis(dihydroxymethyl)benzoate; [3,5-bis(dihydroxymethyl)phenyl]methanediol; cadmium; tetradecahydrate Traditional Name: 3,5-bis(dihydroxymethyl)benzoate; [3,5-bis(dihydroxymethyl)phenyl]methanediol; cadmium; tetradecahydrate Formula: C27H58Cd9O32-2 MolecularWeight: 1906.42922

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(O)O)C(O)O)C(O)O.C1=C(C=C(C=C1C(O)O)C(=O)[O-])C(O)O.C1=C(C=C(C=C1C(O)O)C(=O)[O-])C(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd]

Isomeric SMILES

C1=C(C=C(C=C1C(O)O)C(O)O)C(O)O.C1=C(C=C(C=C1C(O)O)C(=O)[O-])C(O)O.C1=C(C=C(C=C1C(O)O)C(=O)[O-])C(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd]

InChI

InChI=1S/C9H12O6.2C9H10O6.9Cd.14H2O/c3*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;;;;;;;;;;;;;;;;;;;;;/h1-3,7-15H;2*1-3,7-8,10-13H,(H,14,15);;;;;;;;;;14*1H2/p-2