disodium oxidanylidene-(3-sulfonatocarbonylphenyl)methanesulfonate

Systemtic Name: disodium oxidanylidene-(3-sulfonatocarbonylphenyl)methanesulfonate Openeye Name: disodium oxo-(3-sulfonatocarbonylphenyl)methanesulfonate CAS Name: disodium oxo-[3-[oxo(sulfonato)methyl]phenyl]methanesulfonate IUPAC Name: disodium oxo-(3-sulfonatocarbonylphenyl)methanesulfonate Traditional Name: disodium keto-(3-sulfonatocarbonylphenyl)methanesulfonate Formula: C8H4Na2O8S2 MolecularWeight: 338.2221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O8S2.2Na/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16;;/h1-4H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2