disodium 3-(ethanethioylamino)-5-(oxidanidyloxymethyl)benzoate

Systemtic Name: disodium 3-(ethanethioylamino)-5-(oxidanidyloxymethyl)benzoate Openeye Name: disodium 3-(ethanethioylamino)-5-(oxidooxymethyl)benzoate CAS Name: disodium 3-(oxidooxymethyl)-5-(1-sulfanylideneethylamino)benzoate IUPAC Name: disodium 3-(ethanethioylamino)-5-(oxidooxymethyl)benzoate Traditional Name: disodium 3-(oxidooxymethyl)-5-(thioacetylamino)benzoate Formula: C10H9NNa2O4S MolecularWeight: 285.2273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=CC(=C1)CO[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=S)NC1=CC(=CC(=C1)CO[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H11NO4S.2Na/c1-6(16)11-9-3-7(5-15-14)2-8(4-9)10(12)13;;/h2-4,14H,5H2,1H3,(H,11,16)(H,12,13);;/q;2*+1/p-2