3-chloranyl-5-(2-methylbutan-2-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 3-chloranyl-5-(2-methylbutan-2-yl)-2-oxidanyl-benzoic acid Openeye Name: 3-chloro-5-(1,1-dimethylpropyl)-2-hydroxy-benzoic acid CAS Name: 3-chloro-2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid IUPAC Name: 3-chloro-2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid Traditional Name: 5-tert-amyl-3-chloro-2-hydroxy-benzoic acid Formula: C12H15ClO3 MolecularWeight: 242.6987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO3/c1-4-12(2,3)7-5-8(11(15)16)10(14)9(13)6-7/h5-6,14H,4H2,1-3H3,(H,15,16)