dialuminum (3E)-5-azanyl-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: dialuminum (3E)-5-azanyl-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: dialuminum (3E)-5-amino-4-oxo-3-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: dialuminum (3E)-5-amino-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: dialuminum (3E)-5-amino-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: dialuminum (3E)-5-amino-4-keto-3-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C48H33Al2N9O21S6 MolecularWeight: 1318.176396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=O)C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.C1=CC=C(C=C1)N/N=C/2\C(=O)C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.C1=CC=C(C=C1)N/N=C/2\C(=O)C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Al+3].[Al+3]

InChI

InChI=1S/3C16H13N3O7S2.2Al/c3*17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10;;/h3*1-8,18H,17H2,(H,21,22,23)(H,24,25,26);;/q;;;2*+3/p-6/b3*19-15-;;