3-tert-butyl-5-methoxycarbonyl-benzoate

Systemtic Name: 3-tert-butyl-5-methoxycarbonyl-benzoate Openeye Name: 3-tert-butyl-5-methoxycarbonyl-benzoate CAS Name: 3-tert-butyl-5-methoxycarbonylbenzoate IUPAC Name: 3-tert-butyl-5-methoxycarbonylbenzoate Traditional Name: 3-tert-butyl-5-carbomethoxy-benzoate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C(=O)[O-]

InChI

InChI=1S/C13H16O4/c1-13(2,3)10-6-8(11(14)15)5-9(7-10)12(16)17-4/h5-7H,1-4H3,(H,14,15)/p-1