tetrazinc; benzene-1,2,4-tricarboxylate; 2-ethylhexanoate

Systemtic Name: tetrazinc; benzene-1,2,4-tricarboxylate; 2-ethylhexanoate Openeye Name: tetrazinc; benzene-1,2,4-tricarboxylate; 2-ethylhexanoate CAS Name: tetrazinc; benzene-1,2,4-tricarboxylate; 2-ethylhexanoate IUPAC Name: tetrazinc; benzene-1,2,4-tricarboxylate; 2-ethylhexanoate Traditional Name: tetrazinc; benzene-1,2,4-tricarboxylate; 2-ethylhexanoate Formula: C34H36O16Zn4 MolecularWeight: 962.27604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].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-].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].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-].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/2C9H6O6.2C8H16O2.4Zn/c2*10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;2*1-3-5-6-7(4-2)8(9)10;;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);2*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;;4*+2/p-8