dialuminum 2-oxidanylnaphthalene-1,3-disulfonate

Systemtic Name: dialuminum 2-oxidanylnaphthalene-1,3-disulfonate Openeye Name: dialuminum 2-hydroxynaphthalene-1,3-disulfonate CAS Name: dialuminum 2-hydroxynaphthalene-1,3-disulfonate IUPAC Name: dialuminum 2-hydroxynaphthalene-1,3-disulfonate Traditional Name: dialuminum 2-hydroxynaphthalene-1,3-disulfonate Formula: C30H18Al2O21S6 MolecularWeight: 960.804396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H8O7S2.2Al/c3*11-9-8(18(12,13)14)5-6-3-1-2-4-7(6)10(9)19(15,16)17;;/h3*1-5,11H,(H,12,13,14)(H,15,16,17);;/q;;;2*+3/p-6