potassium [4-(2,2,2-trideuterioethanoylamino)phenyl] sulfate

Systemtic Name: potassium [4-(2,2,2-trideuterioethanoylamino)phenyl] sulfate Openeye Name: potassium [4-[(2,2,2-trideuterioacetyl)amino]phenyl] sulfate CAS Name: potassium [4-[(2,2,2-trideuterio-1-oxoethyl)amino]phenyl] sulfate IUPAC Name: potassium [4-[(2,2,2-trideuterioacetyl)amino]phenyl] sulfate Traditional Name: potassium [4-[(2,2,2-trideuterioacetyl)amino]phenyl] sulfate Formula: C8H8KNO5S MolecularWeight: 272.334605

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]

Isomeric SMILES

[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1/i1D3;