4,5-dicarboxyphthalate; zinc; tetrahydroxide

Systemtic Name: 4,5-dicarboxyphthalate; zinc; tetrahydroxide Openeye Name: 4,5-dicarboxyphthalate; zinc; tetrahydroxide CAS Name: 4,5-dicarboxyphthalate; zinc; tetrahydroxide IUPAC Name: 4,5-dicarboxyphthalate; zinc; tetrahydroxide Traditional Name: 4,5-dicarboxyphthalate; zinc; tetrahydroxide Formula: C20H12O20Zn6-8 MolecularWeight: 964.75128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]

Isomeric SMILES

C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]

InChI

InChI=1S/2C10H6O8.4H2O.6Zn/c2*11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;;;;;;;/h2*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H2;;;;;;/p-8