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magnesium 2-carboxy-3-sulfo-benzoate

magnesium 2-carboxy-3-sulfo-benzoate

Systemtic Name:magnesium 2-carboxy-3-sulfo-benzoate
Openeye Name:magnesium 2-carboxy-3-sulfo-benzoate
CAS Name:magnesium 2-carboxy-3-sulfobenzoate
IUPAC Name:magnesium 2-carboxy-3-sulfobenzoate
Traditional Name:magnesium 2-carboxy-3-sulfo-benzoate
Formula: C16H10MgO14S2
MolecularWeight: 514.6772
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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-].[Mg+2]


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-].[Mg+2]


InChI

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


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