adamantane-1-carboxylate; ethanenitrile; rhenium; tetrachloride

Systemtic Name: adamantane-1-carboxylate; ethanenitrile; rhenium; tetrachloride Openeye Name: acetonitrile; adamantane-1-carboxylate; rhenium; tetrachloride CAS Name: acetonitrile; 1-adamantanecarboxylate; rhenium; tetrachloride IUPAC Name: acetonitrile; adamantane-1-carboxylate; rhenium; tetrachloride Traditional Name: acetonitrile; adamantane-1-carboxylate; rhenium; tetrachloride Formula: C26H36Cl4N2O4Re2-6 MolecularWeight: 954.80104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1C2CC3CC1CC(C2)(C3)C(=O)[O-].C1C2CC3CC1CC(C2)(C3)C(=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Re].[Re]

Isomeric SMILES

CC#N.CC#N.C1C2CC3CC1CC(C2)(C3)C(=O)[O-].C1C2CC3CC1CC(C2)(C3)C(=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Re].[Re]

InChI

InChI=1S/2C11H16O2.2C2H3N.4ClH.2Re/c2*12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;2*1-2-3;;;;;;/h2*7-9H,1-6H2,(H,12,13);2*1H3;4*1H;;/p-6