disodium 2-carboxy-3-sulfonato-benzoate

Systemtic Name: disodium 2-carboxy-3-sulfonato-benzoate Openeye Name: disodium 2-carboxy-3-sulfonato-benzoate CAS Name: disodium 2-carboxy-3-sulfonatobenzoate IUPAC Name: disodium 2-carboxy-3-sulfonatobenzoate Traditional Name: disodium 2-carboxy-3-sulfonato-benzoate Formula: C8H4Na2O7S MolecularWeight: 290.1577

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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-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C8H6O7S.2Na/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;2*+1/p-2