sodium tert-butyl benzoate

Systemtic Name: sodium tert-butyl benzoate Openeye Name: sodium tert-butyl benzoate CAS Name: sodium benzoic acid tert-butyl ester IUPAC Name: sodium tert-butyl benzoate Traditional Name: sodium benzoic acid tert-butyl ester Formula: C11H14NaO2+ MolecularWeight: 201.21743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2.Na/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h4-8H,1-3H3;/q;+1