aluminum 5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: aluminum 5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonate Openeye Name: aluminum 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonate CAS Name: aluminum 8-hydroxy-5,7-dinitro-2-naphthalenesulfonate IUPAC Name: aluminum 8-hydroxy-5,7-dinitronaphthalene-2-sulfonate Traditional Name: aluminum 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonate Formula: C30H15AlN6O24S3 MolecularWeight: 966.642438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.[Al+3]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O.[Al+3]

InChI

InChI=1S/3C10H6N2O8S.Al/c3*13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;/h3*1-4,13H,(H,18,19,20);/q;;;+3/p-3