disodium 3-methoxycarbonyl-5-sulfonato-benzoate

Systemtic Name: disodium 3-methoxycarbonyl-5-sulfonato-benzoate Openeye Name: disodium 3-methoxycarbonyl-5-sulfonato-benzoate CAS Name: disodium 3-methoxycarbonyl-5-sulfonatobenzoate IUPAC Name: disodium 3-methoxycarbonyl-5-sulfonatobenzoate Traditional Name: disodium 3-carbomethoxy-5-sulfonato-benzoate Formula: C9H6Na2O7S MolecularWeight: 304.18428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O7S.2Na/c1-16-9(12)6-2-5(8(10)11)3-7(4-6)17(13,14)15;;/h2-4H,1H3,(H,10,11)(H,13,14,15);;/q;2*+1/p-2