sodium 2,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butanoate

Systemtic Name: sodium 2,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: sodium 4-benzyloxy-2,3-dimethyl-4-oxo-butanoate CAS Name: sodium 2,3-dimethyl-4-oxo-4-phenylmethoxybutanoate IUPAC Name: sodium 2,3-dimethyl-4-oxo-4-phenylmethoxybutanoate Traditional Name: sodium 4-benzoxy-4-keto-2,3-dimethyl-butyrate Formula: C13H15NaO4 MolecularWeight: 258.24557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)OCC1=CC=CC=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C(C)C(=O)OCC1=CC=CC=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H16O4.Na/c1-9(12(14)15)10(2)13(16)17-8-11-6-4-3-5-7-11;/h3-7,9-10H,8H2,1-2H3,(H,14,15);/q;+1/p-1