dialuminum (3E)-6-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: dialuminum (3E)-6-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: dialuminum (3E)-6-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate CAS Name: dialuminum (3E)-6-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: dialuminum (3E)-6-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Traditional Name: dialuminum (3E)-6-keto-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C57H36Al2N12O18S3 MolecularWeight: 1327.123416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C=C(C(=O)C=C2)C(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC=C1N/N=C\2/C=C(C(=O)C=C2)C(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC=C1N/N=C\2/C=C(C(=O)C=C2)C(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C19H14N4O6S.2Al/c3*24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29;;/h3*1-11,22H,(H,25,26)(H,27,28,29);;/q;;;2*+3/p-6/b3*21-20?,23-15+;;