sodium 2-ethoxycarbonyl-2-phenyl-butanoate

Systemtic Name: sodium 2-ethoxycarbonyl-2-phenyl-butanoate Openeye Name: sodium 2-ethoxycarbonyl-2-phenyl-butanoate CAS Name: sodium 2-ethoxycarbonyl-2-phenylbutanoate IUPAC Name: sodium 2-ethoxycarbonyl-2-phenylbutanoate Traditional Name: sodium 2-carbethoxy-2-phenyl-butyrate Formula: C13H15NaO4 MolecularWeight: 258.24557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4.Na/c1-3-13(11(14)15,12(16)17-4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3,(H,14,15);/q;+1/p-1