2-[3-(2-methylbutan-2-yl)-4-oxidanyl-phenyl]ethanoate

Systemtic Name: 2-[3-(2-methylbutan-2-yl)-4-oxidanyl-phenyl]ethanoate Openeye Name: 2-[3-(1,1-dimethylpropyl)-4-hydroxy-phenyl]acetate CAS Name: 2-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]acetate IUPAC Name: 2-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]acetate Traditional Name: 2-(3-tert-amyl-4-hydroxy-phenyl)acetate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-4-13(2,3)10-7-9(8-12(15)16)5-6-11(10)14/h5-7,14H,4,8H2,1-3H3,(H,15,16)/p-1