N2,N3-bis(oxidanidyl)butane-2,3-diimine; technetium(7+); heptachloride

Systemtic Name: N2,N3-bis(oxidanidyl)butane-2,3-diimine; technetium(7+); heptachloride Openeye Name: N2,N3-dioxidobutane-2,3-diimine; technetium(7+); heptachloride CAS Name: N2,N3-dioxidobutane-2,3-diimine; technetium(7+); heptachloride IUPAC Name: 2-N,3-N-dioxidobutane-2,3-diimine; technetium(7+); heptachloride Traditional Name: (Z)-[(2E)-1-methyl-2-oxidoimino-propylidene]-oxido-amine; technetium(7+); heptachloride Formula: C28H42Cl7N14O14Tc3 MolecularWeight: 1340.611128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Tc+7].[Tc+7].[Tc+7]

Isomeric SMILES

C/C(=N\[O-])/C(=N\[O-])/C.C/C(=N\[O-])/C(=N\[O-])/C.C/C(=N\[O-])/C(=N\[O-])/C.C/C(=N\[O-])/C(=N\[O-])/C.C/C(=N\[O-])/C(=N\[O-])/C.C/C(=N\[O-])/C(=N\[O-])/C.C/C(=N\[O-])/C(=N\[O-])/C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Tc+7].[Tc+7].[Tc+7]

InChI

InChI=1S/7C4H8N2O2.7ClH.3Tc/c7*1-3(5-7)4(2)6-8;;;;;;;;;;/h7*7-8H,1-2H3;7*1H;;;/q;;;;;;;;;;;;;;3*+7/p-21/b7*5-3-,6-4+;;;;;;;;;;