2-(2,2-dimethylpropoxycarbonyl)benzoic acid

Systemtic Name: 2-(2,2-dimethylpropoxycarbonyl)benzoic acid Openeye Name: 2-(2,2-dimethylpropoxycarbonyl)benzoic acid CAS Name: 2-[2,2-dimethylpropoxy(oxo)methyl]benzoic acid IUPAC Name: 2-(2,2-dimethylpropoxycarbonyl)benzoic acid Traditional Name: 2-neopentyloxycarbonylbenzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-13(2,3)8-17-12(16)10-7-5-4-6-9(10)11(14)15/h4-7H,8H2,1-3H3,(H,14,15)