sodium 2-(2,3,6-trimethylphenoxy)ethanoate

Systemtic Name: sodium 2-(2,3,6-trimethylphenoxy)ethanoate Openeye Name: sodium 2-(2,3,6-trimethylphenoxy)acetate CAS Name: sodium 2-(2,3,6-trimethylphenoxy)acetate IUPAC Name: sodium 2-(2,3,6-trimethylphenoxy)acetate Traditional Name: sodium 2-(2,3,6-trimethylphenoxy)acetate Formula: C11H13NaO3 MolecularWeight: 216.20889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(=O)[O-])C.[Na+]

InChI

InChI=1S/C11H14O3.Na/c1-7-4-5-8(2)11(9(7)3)14-6-10(12)13;/h4-5H,6H2,1-3H3,(H,12,13);/q;+1/p-1