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

Systemtic Name: 3-tert-butyl-5-ethyl-2-oxidanyl-benzoate Openeye Name: 3-tert-butyl-5-ethyl-2-hydroxy-benzoate CAS Name: 3-tert-butyl-5-ethyl-2-hydroxybenzoate IUPAC Name: 3-tert-butyl-5-ethyl-2-hydroxybenzoate Traditional Name: 3-tert-butyl-5-ethyl-2-hydroxy-benzoate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C

InChI

InChI=1S/C13H18O3/c1-5-8-6-9(12(15)16)11(14)10(7-8)13(2,3)4/h6-7,14H,5H2,1-4H3,(H,15,16)/p-1