2-carboxy-3-sulfonato-benzoate; zirconium(4+)

Systemtic Name: 2-carboxy-3-sulfonato-benzoate; zirconium(4+) Openeye Name: 2-carboxy-3-sulfonato-benzoate; zirconium(4+) CAS Name: 2-carboxy-3-sulfonatobenzoate; zirconium(4+) IUPAC Name: 2-carboxy-3-sulfonatobenzoate; zirconium(4+) Traditional Name: 2-carboxy-3-sulfonato-benzoate; zirconium(4+) Formula: C32H16O28S4Zr-4 MolecularWeight: 1067.93664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].[Zr+4]

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)[O-])C(=O)O)C(=O)[O-].[Zr+4]

InChI

InChI=1S/4C8H6O7S.Zr/c4*9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;/h4*1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;;;;+4/p-8