4-tert-butyl-2,6-dimethyl-benzoate

Systemtic Name: 4-tert-butyl-2,6-dimethyl-benzoate Openeye Name: 4-tert-butyl-2,6-dimethyl-benzoate CAS Name: 4-tert-butyl-2,6-dimethylbenzoate IUPAC Name: 4-tert-butyl-2,6-dimethylbenzoate Traditional Name: 4-tert-butyl-2,6-dimethyl-benzoate Formula: C13H17O2- MolecularWeight: 205.27288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C13H18O2/c1-8-6-10(13(3,4)5)7-9(2)11(8)12(14)15/h6-7H,1-5H3,(H,14,15)/p-1