sodium 2-(2-methylpropoxycarbonyl)benzoate

Systemtic Name: sodium 2-(2-methylpropoxycarbonyl)benzoate Openeye Name: sodium 2-isobutoxycarbonylbenzoate CAS Name: sodium 2-[2-methylpropoxy(oxo)methyl]benzoate IUPAC Name: sodium 2-(2-methylpropoxycarbonyl)benzoate Traditional Name: sodium 2-isobutoxycarbonylbenzoate Formula: C12H13NaO4 MolecularWeight: 244.21899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

InChI

InChI=1S/C12H14O4.Na/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);/q;+1/p-1