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

Systemtic Name: 3-(chloromethyl)-5-(2-methylbutan-2-yl)-2-oxidanyl-benzoic acid Openeye Name: 3-(chloromethyl)-5-(1,1-dimethylpropyl)-2-hydroxy-benzoic acid CAS Name: 3-(chloromethyl)-2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid IUPAC Name: 3-(chloromethyl)-2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid Traditional Name: 5-tert-amyl-3-(chloromethyl)-2-hydroxy-benzoic acid Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO3/c1-4-13(2,3)9-5-8(7-14)11(15)10(6-9)12(16)17/h5-6,15H,4,7H2,1-3H3,(H,16,17)