1-oxidanylpropane-1,2,3-tricarboxylate; technetium(7+); tin(4+)

Systemtic Name: 1-oxidanylpropane-1,2,3-tricarboxylate; technetium(7+); tin(4+) Openeye Name: tristannic; 1-hydroxypropane-1,2,3-tricarboxylate; technetium(7+) CAS Name: 1-hydroxypropane-1,2,3-tricarboxylate; technetium(7+); tin(4+) IUPAC Name: 1-hydroxypropane-1,2,3-tricarboxylate; technetium(7+); tin(4+) Traditional Name: tristannic; 1-hydroxypropane-1,2,3-tricarboxylate; technetium(7+) Formula: C66H55O77Sn3Tc3 MolecularWeight: 2729.948348

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].[Tc+7].[Tc+7].[Tc+7].[Sn+4].[Sn+4].[Sn+4]

Isomeric SMILES

C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].[Tc+7].[Tc+7].[Tc+7].[Sn+4].[Sn+4].[Sn+4]

InChI

InChI=1S/11C6H8O7.3Sn.3Tc/c11*7-3(8)1-2(5(10)11)4(9)6(12)13;;;;;;/h11*2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;;;;/q;;;;;;;;;;;3*+4;3*+7/p-33