3-tert-butyl-5-methyl-2-oxidanyl-benzoate

Systemtic Name: 3-tert-butyl-5-methyl-2-oxidanyl-benzoate Openeye Name: 3-tert-butyl-2-hydroxy-5-methyl-benzoate CAS Name: 3-tert-butyl-2-hydroxy-5-methylbenzoate IUPAC Name: 3-tert-butyl-2-hydroxy-5-methylbenzoate Traditional Name: 3-tert-butyl-2-hydroxy-5-methyl-benzoate Formula: C12H15O3- MolecularWeight: 207.2457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-7-5-8(11(14)15)10(13)9(6-7)12(2,3)4/h5-6,13H,1-4H3,(H,14,15)/p-1