sodium 2-[2-(oxan-2-yl)phenyl]-2-oxidanyl-ethanoate

Systemtic Name: sodium 2-[2-(oxan-2-yl)phenyl]-2-oxidanyl-ethanoate Openeye Name: sodium 2-hydroxy-2-(2-tetrahydropyran-2-ylphenyl)acetate CAS Name: sodium 2-hydroxy-2-[2-(2-oxanyl)phenyl]acetate IUPAC Name: sodium 2-hydroxy-2-[2-(oxan-2-yl)phenyl]acetate Traditional Name: sodium 2-hydroxy-2-(2-tetrahydropyran-2-ylphenyl)acetate Formula: C13H15NaO4 MolecularWeight: 258.24557

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C2=CC=CC=C2C(C(=O)[O-])O.[Na+]

Isomeric SMILES

C1CCOC(C1)C2=CC=CC=C2C(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C13H16O4.Na/c14-12(13(15)16)10-6-2-1-5-9(10)11-7-3-4-8-17-11;/h1-2,5-6,11-12,14H,3-4,7-8H2,(H,15,16);/q;+1/p-1