dialuminum (5Z)-6-oxidanylidene-5-[(3-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: dialuminum (5Z)-6-oxidanylidene-5-[(3-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: dialuminum (5Z)-6-oxo-5-[(3-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: dialuminum (5Z)-6-oxo-5-[(3-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: dialuminum (5Z)-6-oxo-5-[(3-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: dialuminum (5Z)-6-keto-5-[(3-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C48H30Al2N6O21S6 MolecularWeight: 1273.132476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])N/N=C/2\C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])N/N=C/2\C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])N/N=C/2\C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C16H12N2O7S2.2Al/c3*19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h3*1-9,17H,(H,20,21,22)(H,23,24,25);;/q;;;2*+3/p-6/b3*18-16-;;