potassium 3-(4-bromophenyl)-2,3-dideuterio-propanoate

Systemtic Name: potassium 3-(4-bromophenyl)-2,3-dideuterio-propanoate Openeye Name: potassium 3-(4-bromophenyl)-2,3-dideuterio-propanoate CAS Name: potassium 3-(4-bromophenyl)-2,3-dideuteriopropanoate IUPAC Name: potassium 3-(4-bromophenyl)-2,3-dideuteriopropanoate Traditional Name: potassium 3-(4-bromophenyl)-2,3-dideuterio-propionate Formula: C9H8BrKO2 MolecularWeight: 269.173244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])Br.[K+]

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrO2.K/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-2,4-5H,3,6H2,(H,11,12);/q;+1/p-1/i3D,6D;