2-deuterio-3-(3,5-dideuterio-4-deuteriooxy-phenyl)-2-(trideuterioazaniumyl)propanoate

Systemtic Name: 2-deuterio-3-(3,5-dideuterio-4-deuteriooxy-phenyl)-2-(trideuterioazaniumyl)propanoate Openeye Name: 2-deuterio-3-(3,5-dideuterio-4-deuteriooxy-phenyl)-2-(trideuterioammonio)propanoate CAS Name: 2-deuterio-3-(3,5-dideuterio-4-deuteriooxyphenyl)-2-(trideuterioammonio)propanoate IUPAC Name: 2-deuterio-3-(3,5-dideuterio-4-deuteriooxyphenyl)-2-(trideuterioazaniumyl)propanoate Traditional Name: 2-deuterio-3-(3,5-dideuterio-4-deuteriooxy-phenyl)-2-(trideuterioammonio)propionate Formula: C9H11NO3 MolecularWeight: 188.231672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])O

Isomeric SMILES

[2H]C1=CC(=CC(=C1O[2H])[2H])CC([2H])(C(=O)[O-])[N+]([2H])([2H])[2H]

InChI

InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/i3D,4D,8D/hD4