[2-[bis(oxidanyl)methyl]phenyl]-phenyl-methanone; copper; dihydrate

Systemtic Name: [2-[bis(oxidanyl)methyl]phenyl]-phenyl-methanone; copper; dihydrate Openeye Name: copper; [2-(dihydroxymethyl)phenyl]-phenyl-methanone; dihydrate CAS Name: copper; [2-(dihydroxymethyl)phenyl]-phenylmethanone; dihydrate IUPAC Name: copper; [2-(dihydroxymethyl)phenyl]-phenylmethanone; dihydrate Traditional Name: copper; [2-(dihydroxymethyl)phenyl]-phenyl-methanone; dihydrate Formula: C56H52Cu2O14 MolecularWeight: 1076.09568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.O.O.[Cu].[Cu]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)O.O.O.[Cu].[Cu]

InChI

InChI=1S/4C14H12O3.2Cu.2H2O/c4*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;;;;/h4*1-9,14,16-17H;;;2*1H2