tricalcium benzene-1,2,4-tricarboxylate

Systemtic Name: tricalcium benzene-1,2,4-tricarboxylate Openeye Name: tricalcium benzene-1,2,4-tricarboxylate CAS Name: tricalcium benzene-1,2,4-tricarboxylate IUPAC Name: tricalcium benzene-1,2,4-tricarboxylate Traditional Name: tricalcium benzene-1,2,4-tricarboxylate Formula: C18H6Ca3O12 MolecularWeight: 534.46704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

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