2-(5-bromanyl-3-methanoyl-2-oxidanyl-phenyl)ethanoic acid; copper; dihydrate

Systemtic Name: 2-(5-bromanyl-3-methanoyl-2-oxidanyl-phenyl)ethanoic acid; copper; dihydrate Openeye Name: 2-(5-bromo-3-formyl-2-hydroxy-phenyl)acetic acid; copper; dihydrate CAS Name: 2-(5-bromo-3-formyl-2-hydroxyphenyl)acetic acid; copper; dihydrate IUPAC Name: 2-(5-bromo-3-formyl-2-hydroxyphenyl)acetic acid; copper; dihydrate Traditional Name: 2-(5-bromo-3-formyl-2-hydroxy-phenyl)acetic acid; copper; dihydrate Formula: C18H18Br2Cu2O10 MolecularWeight: 681.22952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CC(=O)O)O)C=O)Br.C1=C(C=C(C(=C1CC(=O)O)O)C=O)Br.O.O.[Cu].[Cu]

Isomeric SMILES

C1=C(C=C(C(=C1CC(=O)O)O)C=O)Br.C1=C(C=C(C(=C1CC(=O)O)O)C=O)Br.O.O.[Cu].[Cu]

InChI

InChI=1S/2C9H7BrO4.2Cu.2H2O/c2*10-7-1-5(3-8(12)13)9(14)6(2-7)4-11;;;;/h2*1-2,4,14H,3H2,(H,12,13);;;2*1H2