tricopper benzene-1,3,5-tricarboxylate

Systemtic Name: tricopper benzene-1,3,5-tricarboxylate Openeye Name: tricopper benzene-1,3,5-tricarboxylate CAS Name: tricopper benzene-1,3,5-tricarboxylate IUPAC Name: tricopper benzene-1,3,5-tricarboxylate Traditional Name: tricupric benzene-1,3,5-tricarboxylate Formula: C18H6Cu3O12 MolecularWeight: 604.87104

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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-].[Cu+2].[Cu+2].[Cu+2]

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-].[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/2C9H6O6.3Cu/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;;/q;;3*+2/p-6