2-carboxy-5-sulfo-benzoate; manganese(2+)

Systemtic Name: 2-carboxy-5-sulfo-benzoate; manganese(2+) Openeye Name: manganous 2-carboxy-5-sulfo-benzoate CAS Name: 2-carboxy-5-sulfobenzoate; manganese(2+) IUPAC Name: 2-carboxy-5-sulfobenzoate; manganese(2+) Traditional Name: manganous 2-carboxy-5-sulfo-benzoate Formula: C16H10MnO14S2 MolecularWeight: 545.310249

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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.[Mn+2]

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.[Mn+2]

InChI

InChI=1S/2C8H6O7S.Mn/c2*9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h2*1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;;+2/p-2