carbon monoxide; rhenium; trimethyl (3E)-hexa-1,3,5-triene-1,3,5-tricarboxylate

Systemtic Name: carbon monoxide; rhenium; trimethyl (3E)-hexa-1,3,5-triene-1,3,5-tricarboxylate Openeye Name: carbon monoxide; rhenium; trimethyl (3E)-hexa-1,3,5-triene-1,3,5-tricarboxylate CAS Name: carbon monoxide; (3E)-hexa-1,3,5-triene-1,3,5-tricarboxylic acid trimethyl ester; rhenium IUPAC Name: carbon monoxide; rhenium; trimethyl (3E)-hexa-1,3,5-triene-1,3,5-tricarboxylate Traditional Name: carbon monoxide; (3E)-hexa-1,3,5-triene-1,3,5-tricarboxylic acid trimethyl ester; rhenium Formula: C20H12O14Re2-2 MolecularWeight: 848.71488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[C-]=CC(=CC(=[CH-])C(=O)OC)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

Isomeric SMILES

COC(=O)[C-]=C/C(=C\C(=[CH-])C(=O)OC)/C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

InChI

InChI=1S/C12H12O6.8CO.2Re/c1-8(11(14)17-3)7-9(12(15)18-4)5-6-10(13)16-2;8*1-2;;/h1,5,7H,2-4H3;;;;;;;;;;/q-2;;;;;;;;;;/b9-7+;;;;;;;;;;