dialuminum (3Z)-4-oxidanylidene-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: dialuminum (3Z)-4-oxidanylidene-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Openeye Name: dialuminum (3Z)-4-oxo-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate CAS Name: dialuminum (3Z)-4-oxo-3-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-1-naphthalenesulfonate IUPAC Name: dialuminum (3Z)-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Traditional Name: dialuminum (3Z)-4-keto-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1-sulfonate Formula: C60H36Al2N6O21S6 MolecularWeight: 1423.308516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC=C2C(=CC=C(C2=C1)N/N=C/3\C(=O)C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=CC=C(C2=C1)N/N=C/3\C(=O)C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=CC=C(C2=C1)N/N=C/3\C(=O)C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C20H14N2O7S2.2Al/c3*23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h3*1-11,21H,(H,24,25,26)(H,27,28,29);;/q;;;2*+3/p-6/b3*22-17-;;