2-(2,2-dimethylpropoxycarbonyl)-5-methyl-benzoate

Systemtic Name: 2-(2,2-dimethylpropoxycarbonyl)-5-methyl-benzoate Openeye Name: 2-(2,2-dimethylpropoxycarbonyl)-5-methyl-benzoate CAS Name: 2-[2,2-dimethylpropoxy(oxo)methyl]-5-methylbenzoate IUPAC Name: 2-(2,2-dimethylpropoxycarbonyl)-5-methylbenzoate Traditional Name: 5-methyl-2-neopentyloxycarbonyl-benzoate Formula: C14H17O4- MolecularWeight: 249.28238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C14H18O4/c1-9-5-6-10(11(7-9)12(15)16)13(17)18-8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)/p-1