sodium 2-[(1R,2R)-1,2-dideuterio-2-(hydroxymethyl)cyclopent-3-en-1-yl]ethanoate

Systemtic Name: sodium 2-[(1R,2R)-1,2-dideuterio-2-(hydroxymethyl)cyclopent-3-en-1-yl]ethanoate Openeye Name: sodium 2-[(1R,2R)-1,2-dideuterio-2-(hydroxymethyl)cyclopent-3-en-1-yl]acetate CAS Name: sodium 2-[(1R,2R)-1,2-dideuterio-2-(hydroxymethyl)-1-cyclopent-3-enyl]acetate IUPAC Name: sodium 2-[(1R,2R)-1,2-dideuterio-2-(hydroxymethyl)cyclopent-3-en-1-yl]acetate Traditional Name: sodium 2-[(1R,2R)-1,2-dideuterio-2-methylol-cyclopent-3-en-1-yl]acetate Formula: C8H11NaO3 MolecularWeight: 180.173234

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C1CC(=O)[O-])CO.[Na+]

Isomeric SMILES

[2H][C@@]1(CC=C[C@@]1([2H])CO)CC(=O)[O-].[Na+]

InChI

InChI=1S/C8H12O3.Na/c9-5-7-3-1-2-6(7)4-8(10)11;/h1,3,6-7,9H,2,4-5H2,(H,10,11);/q;+1/p-1/t6-,7+;/m1./s1/i6D,7D;