dibutyltin(2+); (3E)-N-oxidanidyl-3-[1-(oxidanidylamino)ethylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: dibutyltin(2+); (3E)-N-oxidanidyl-3-[1-(oxidanidylamino)ethylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxamide Openeye Name: dibutyltin(2+); (3E)-N-oxido-3-[1-(oxidoamino)ethylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxamide CAS Name: dibutyltin(2+); (3E)-N-oxido-3-[1-(oxidoamino)ethylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: dibutyltin(2+); (3E)-N-oxido-3-[1-(oxidoamino)ethylidene]-6-oxocyclohexa-1,4-diene-1-carboxamide Traditional Name: dibutyltin(2+); (3E)-6-keto-N-oxido-3-[1-(oxidoamino)ethylidene]cyclohexa-1,4-diene-1-carboxamide Formula: C51H78N6O12Sn3 MolecularWeight: 1323.32802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CC(=C1C=CC(=O)C(=C1)C(=O)N[O-])N[O-].CC(=C1C=CC(=O)C(=C1)C(=O)N[O-])N[O-].CC(=C1C=CC(=O)C(=C1)C(=O)N[O-])N[O-]

Isomeric SMILES

CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.C/C(=C/1\C=C(C(=O)C=C1)C(=O)N[O-])/N[O-].C/C(=C/1\C=C(C(=O)C=C1)C(=O)N[O-])/N[O-].C/C(=C/1\C=C(C(=O)C=C1)C(=O)N[O-])/N[O-]

InChI

InChI=1S/3C9H8N2O4.6C4H9.3Sn/c3*1-5(10-14)6-2-3-8(12)7(4-6)9(13)11-15;6*1-3-4-2;;;/h3*2-4H,1H3,(H2-2,10,11,12,13,14,15);6*1,3-4H2,2H3;;;/q3*-2;;;;;;;3*+2