1-deuterio-1-[2,5-dideuterio-3,4-bis(oxidanyl)phenyl]-2-(methylamino)ethanesulfonic acid

Systemtic Name: 1-deuterio-1-[2,5-dideuterio-3,4-bis(oxidanyl)phenyl]-2-(methylamino)ethanesulfonic acid Openeye Name: 1-deuterio-1-(2,5-dideuterio-3,4-dihydroxy-phenyl)-2-(methylamino)ethanesulfonic acid CAS Name: 1-deuterio-1-(2,5-dideuterio-3,4-dihydroxyphenyl)-2-(methylamino)ethanesulfonic acid IUPAC Name: 1-deuterio-1-(2,5-dideuterio-3,4-dihydroxyphenyl)-2-(methylamino)ethanesulfonic acid Traditional Name: 1-deuterio-1-(2,5-dideuterio-3,4-dihydroxy-phenyl)-2-(methylamino)ethanesulfonic acid Formula: C9H13NO5S MolecularWeight: 250.286705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=CC(=C(C(=C1O)O)[2H])C([2H])(CNC)S(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)/i3D,4D,9D