[2-[bis(oxidanyl)methyl]phenyl]methanediol; cobalt; octadecahydrate

Systemtic Name: [2-[bis(oxidanyl)methyl]phenyl]methanediol; cobalt; octadecahydrate Openeye Name: cobalt; [2-(dihydroxymethyl)phenyl]methanediol; octadecahydrate CAS Name: cobalt; [2-(dihydroxymethyl)phenyl]methanediol; octadecahydrate IUPAC Name: cobalt; [2-(dihydroxymethyl)phenyl]methanediol; octadecahydrate Traditional Name: cobalt; [2-(dihydroxymethyl)phenyl]methanediol; octadecahydrate Formula: C32H76Co13O34 MolecularWeight: 1771.05704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(O)O)C(O)O.C1=CC=C(C(=C1)C(O)O)C(O)O.C1=CC=C(C(=C1)C(O)O)C(O)O.C1=CC=C(C(=C1)C(O)O)C(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co]

Isomeric SMILES

C1=CC=C(C(=C1)C(O)O)C(O)O.C1=CC=C(C(=C1)C(O)O)C(O)O.C1=CC=C(C(=C1)C(O)O)C(O)O.C1=CC=C(C(=C1)C(O)O)C(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co]

InChI

InChI=1S/4C8H10O4.13Co.18H2O/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-4,7-12H;;;;;;;;;;;;;;18*1H2