deuterio 2,3,5,6-tetradeuterio-4-[deuterio(ethanoyl)amino]benzenesulfonate

Systemtic Name: deuterio 2,3,5,6-tetradeuterio-4-[deuterio(ethanoyl)amino]benzenesulfonate Openeye Name: deuterio 4-[acetyl(deuterio)amino]-2,3,5,6-tetradeuterio-benzenesulfonate CAS Name: 4-[acetyl(deuterio)amino]-2,3,5,6-tetradeuteriobenzenesulfonic acid deuterio ester IUPAC Name: deuterio 4-[acetyl(deuterio)amino]-2,3,5,6-tetradeuteriobenzenesulfonate Traditional Name: 4-[acetyl(deuterio)amino]-2,3,5,6-tetradeuterio-benzenesulfonic acid deuterio ester Formula: C8H9NO4S MolecularWeight: 221.263331

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1N([2H])C(=O)C)[2H])[2H])S(=O)(=O)O[2H])[2H]

InChI

InChI=1S/C8H9NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)/i2D,3D,4D,5D/hD2