gallium (3E)-6-oxidanylidene-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: gallium (3E)-6-oxidanylidene-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: gallium (3E)-6-oxo-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate CAS Name: gallium (3E)-6-oxo-3-[[4-(2-pyridinylsulfamoyl)phenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: gallium (3E)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Traditional Name: gallium (3E)-6-keto-3-[[4-(2-pyridylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C54H39GaN12O15S3 MolecularWeight: 1261.87686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)[O-].C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)[O-].C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)[O-].[Ga+3]

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=C(C(=O)C=C3)C(=O)[O-].C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=C(C(=O)C=C3)C(=O)[O-].C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=C(C(=O)C=C3)C(=O)[O-].[Ga+3]

InChI

InChI=1S/3C18H14N4O5S.Ga/c3*23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17;/h3*1-11,20H,(H,19,22)(H,24,25);/q;;;+3/p-3/b3*21-13+;