4-methyl-5-(2-methylbutan-2-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 4-methyl-5-(2-methylbutan-2-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-(1,1-dimethylpropyl)-2-hydroxy-4-methyl-benzoic acid CAS Name: 2-hydroxy-4-methyl-5-(2-methylbutan-2-yl)benzoic acid IUPAC Name: 2-hydroxy-4-methyl-5-(2-methylbutan-2-yl)benzoic acid Traditional Name: 5-tert-amyl-2-hydroxy-4-methyl-benzoic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C=C(C(=C1)C(=O)O)O)C

Isomeric SMILES

CCC(C)(C)C1=C(C=C(C(=C1)C(=O)O)O)C

InChI

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