3-(2-methylbutan-2-yl)benzoic acid

Systemtic Name: 3-(2-methylbutan-2-yl)benzoic acid Openeye Name: 3-(1,1-dimethylpropyl)benzoic acid CAS Name: 3-(2-methylbutan-2-yl)benzoic acid IUPAC Name: 3-(2-methylbutan-2-yl)benzoic acid Traditional Name: 3-tert-amylbenzoic acid Formula: C12H16O2 MolecularWeight: 192.25424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2/c1-4-12(2,3)10-7-5-6-9(8-10)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)