dialuminum 4-sulfophthalate

Systemtic Name: dialuminum 4-sulfophthalate Openeye Name: dialuminum 4-sulfophthalate CAS Name: dialuminum 4-sulfophthalate IUPAC Name: dialuminum 4-sulfophthalate Traditional Name: dialuminum 4-sulfophthalate Formula: C24H12Al2O21S3 MolecularWeight: 786.497556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C8H6O7S.2Al/c3*9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;;/h3*1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;;;2*+3/p-6