sodium 3-[(2-methylpropan-2-yl)oxycarbonyl]phthalate

Systemtic Name: sodium 3-[(2-methylpropan-2-yl)oxycarbonyl]phthalate Openeye Name: sodium 3-tert-butoxycarbonylphthalate CAS Name: sodium 3-[(2-methylpropan-2-yl)oxy-oxomethyl]phthalate IUPAC Name: sodium 3-[(2-methylpropan-2-yl)oxycarbonyl]phthalate Traditional Name: sodium 3-tert-butoxycarbonylphthalate Formula: C13H12NaO6- MolecularWeight: 287.22055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O6.Na/c1-13(2,3)19-12(18)8-6-4-5-7(10(14)15)9(8)11(16)17;/h4-6H,1-3H3,(H,14,15)(H,16,17);/q;+1/p-2