3-[(2-methylpropan-2-yl)oxycarbonyl]phthalic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]phthalic acid Openeye Name: 3-tert-butoxycarbonylphthalic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethyl]phthalic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]phthalic acid Traditional Name: 3-tert-butoxycarbonylphthalic acid Formula: C13H14O6 MolecularWeight: 266.24666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C13H14O6/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)