methyl 5-(2-methylbutan-2-yl)-2-oxidanyl-benzoate

Systemtic Name: methyl 5-(2-methylbutan-2-yl)-2-oxidanyl-benzoate Openeye Name: methyl 5-(1,1-dimethylpropyl)-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-(2-methylbutan-2-yl)benzoate Traditional Name: 5-tert-amyl-2-hydroxy-benzoic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)O)C(=O)OC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)O)C(=O)OC

InChI

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